Geometry & MOs

Info

ID:	62337
PubChem CID:	26719326
Reduced:	ClNO3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	477.201219
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	1.33
IP(EA), eV:	-8.42(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations