Geometry & MOs

Info

ID:	235880
PubChem CID:	92710966
Reduced:	O3N6C16H16 (1)
Stoich.:	A3B6C16D16 (1)
Weight, g/mol:	399.154269
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	3.34
IP(EA), eV:	-9.44(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-8-oxo-9-[[(2S)-oxolan-2-yl]methyl]-7H-purine-6-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CC=N4

DOS

IR

Vibrations