Geometry & MOs

Info

ID:	37181
PubChem CID:	8018003
Reduced:	ClN4O4H17C19 (1)
Stoich.:	AB4C4D17E19 (1)
Weight, g/mol:	370.115631
ΔH_f, kcal/mol:	-100.99
Dipole, Da:	6.68
IP(EA), eV:	-9.38(-1.37)
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-(2-methylpropylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

DOS

IR

Vibrations