Geometry & MOs

Info

ID:	122711
PubChem CID:	50818132
Reduced:	ClO3N5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	-30.9
Dipole, Da:	6.65
IP(EA), eV:	-8.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3,4-dimethylphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)NC(=NCC2=CN=CC=C2)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations