Geometry & MOs

Info

ID:	315622
PubChem CID:	126628245
Reduced:	N3C9H22 (1)
Stoich.:	A3B9C22 (1)
Weight, g/mol:	353.158685
ΔH_f, kcal/mol:	31.05
Dipole, Da:	2.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751491
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3aS,4R,6R)-6-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-amino-2-oxopyrimidin-5-yl]methyl acetate

Drug info:

PubChemData

Smile

CC[N+](C)(C)C1CCN(CC1)N

DOS

IR

Vibrations