Geometry & MOs

Info

ID:	37175
PubChem CID:	8017898
Reduced:	ClO3N5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	375.109817
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	9.32
IP(EA), eV:	-8.89(-0.5)
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-(3-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

DOS

IR

Vibrations