Geometry & MOs

Info

ID:	83544
PubChem CID:	49857728
Reduced:	ClON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	407.17644
ΔH_f, kcal/mol:	12.9
Dipole, Da:	5.89
IP(EA), eV:	-8.35(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methyl-(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations