Geometry & MOs

Info

ID:	83543
PubChem CID:	49857727
Reduced:	ClON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	407.17644
ΔH_f, kcal/mol:	18.79
Dipole, Da:	6.84
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations