Geometry & MOs

Info

ID:	274706
PubChem CID:	103811181
Reduced:	ClOSN2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	276.027725
ΔH_f, kcal/mol:	20.69
Dipole, Da:	7.9
IP(EA), eV:	-9.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)NC2=C(C=C(C=C2)C#N)Cl

DOS

IR

Vibrations