Geometry & MOs

Info

ID:	274679
PubChem CID:	103810977
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	298.087291
ΔH_f, kcal/mol:	-20.04
Dipole, Da:	6.68
IP(EA), eV:	-9.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-cyanophenyl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=C(C=C(C=C1)C#N)Cl

DOS

IR

Vibrations