Geometry & MOs

Info

ID:	193046
PubChem CID:	78337582
Reduced:	N4O4H8C15 (1)
Stoich.:	A4B4C8D15 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	61.56
Dipole, Da:	7.77
IP(EA), eV:	-9.95(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzyl-7-ethyl-2,6-dioxo-4,5-dihydropurin-1-yl)-N-(3,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=N2

DOS

IR

Vibrations