Geometry & MOs

Info

ID:	229238
PubChem CID:	87567238
Reduced:	NSiO3C16H31 (1)
Stoich.:	ABC3D16E31 (1)
Weight, g/mol:	532.202143
ΔH_f, kcal/mol:	-219.11
Dipole, Da:	4.56
IP(EA), eV:	-8.97(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-diamino-7-[2-(2,5-dimethylpyrrolidin-1-yl)-6-(trifluoromethyl)phenyl]-3-methyl-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl] 2,2,2-trifluoroacetate

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

C/C=C/[C@@H]1C[C@@H](CC[C@@H]1NC(=O)O)O[Si](C)(C)C(C)(C)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

C/C=C/[C@@H]1C[C@@H](CC[C@@H]1NC(=O)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):