Geometry & MOs

Info

ID:	22867
PubChem CID:	599302
Reduced:	OCl2N3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	371.059217
ΔH_f, kcal/mol:	23.53
Dipole, Da:	3.42
IP(EA), eV:	-8.5(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[3-(pyridin-4-ylmethylamino)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)NCC3=CC=NC=C3

DOS

IR

Vibrations