Geometry & MOs

Info

ID:	233044
PubChem CID:	87691723
Reduced:	NPO4C6H15 (1)
Stoich.:	ABC4D6E15 (1)
Weight, g/mol:	388.141452
ΔH_f, kcal/mol:	-175.08
Dipole, Da:	14.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762445
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-but-3-enyl-6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-8-one

Drug info:

PubChemData

Smile

C[N+](C)(C)CCCOP(=O)([O-])[O-]

DOS

IR

Vibrations