Geometry & MOs

Info

ID:	315628
PubChem CID:	126628262
Reduced:	N3O8C19H29 (1)
Stoich.:	A3B8C19D29 (1)
Weight, g/mol:	382.197811
ΔH_f, kcal/mol:	-367.55
Dipole, Da:	5.52
IP(EA), eV:	-9.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4R,6R,6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(O[C@H]2[C@H](O[C@H](C2O1)N3C=C(C(=O)NC3=O)CNCC(=O)OC(C)(C)C)CO)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(O[C@H]2[C@H](O[C@H](C2O1)N3C=C(C(=O)NC3=O)CNCC(=O)OC(C)(C)C)CO)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):