Geometry & MOs

Info

ID:	207494
PubChem CID:	80404598
Reduced:	ClON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	299.08254
ΔH_f, kcal/mol:	15.83
Dipole, Da:	7.66
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-chloro-5-cyanoanilino)methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)C(=O)NC2=C(C=CC(=C2)C#N)Cl

DOS

IR

Vibrations