Geometry & MOs

Info

ID:	37183
PubChem CID:	8018013
Reduced:	ClO3N5C16H16 (1)
Stoich.:	AB3C5D16E16 (1)
Weight, g/mol:	403.141117
ΔH_f, kcal/mol:	-60.22
Dipole, Da:	6.23
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(C)C3=CC=CC=C3

DOS

IR

Vibrations