Geometry & MOs

Info

ID:	194819
PubChem CID:	78593469
Reduced:	ClO3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	392.112557
ΔH_f, kcal/mol:	-69.23
Dipole, Da:	4.08
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(8-chloro-1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)-N-[(3-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations