Geometry & MOs

Info

ID:	83236
PubChem CID:	49857330
Reduced:	ON7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	403.16444
ΔH_f, kcal/mol:	56.66
Dipole, Da:	1.77
IP(EA), eV:	-8.39(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)CCC3=CNC4=NC(=NC(=C34)N)N

DOS

IR

Vibrations