Geometry & MOs

Info

ID:	57947
PubChem CID:	24398007
Reduced:	N3O4H23C26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	459.203717
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	4.24
IP(EA), eV:	-8.37(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(4-chloro-2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations