Geometry & MOs

Info

ID:	37177
PubChem CID:	8017910
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	403.141117
ΔH_f, kcal/mol:	-38.39
Dipole, Da:	4.6
IP(EA), eV:	-10.05(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations