Geometry & MOs

Info

ID:	170127
PubChem CID:	75200459
Reduced:	FO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	498.201553
ΔH_f, kcal/mol:	-145.43
Dipole, Da:	4.95
IP(EA), eV:	-9.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3-benzyl-7-ethyl-2,6-dioxo-4,5-dihydropurin-1-yl)acetyl]naphthalene-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC(=O)C2CC3C(NC2)N(C(=O)NC3=O)C4CC4

DOS

IR

Vibrations