Geometry & MOs

Info

ID:	267346
PubChem CID:	103581932
Reduced:	ClON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	284.071641
ΔH_f, kcal/mol:	18.66
Dipole, Da:	3.36
IP(EA), eV:	-9.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(4-cyanophenyl)methyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCC2=CC(=CC=C2)C#N)Cl

DOS

IR

Vibrations