Geometry & MOs

Info

ID:	83993
PubChem CID:	49863104
Reduced:	ON5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	316.107259
ΔH_f, kcal/mol:	50.19
Dipole, Da:	7.21
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-pyridin-3-yl-7H-purin-6-yl)benzamide

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=NC=NC2=C1NC(=N2)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations