Geometry & MOs

Info

ID:	37182
PubChem CID:	8018008
Reduced:	ClO4N6C14H19 (1)
Stoich.:	AB4C6D14E19 (1)
Weight, g/mol:	361.094167
ΔH_f, kcal/mol:	-152.52
Dipole, Da:	7.03
IP(EA), eV:	-9.13(-0.81)
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-methyl-N-phenylacetamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)NC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations