Geometry & MOs

Info

ID:	150301
PubChem CID:	53789989
Reduced:	ON2C8H14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	351.063776
ΔH_f, kcal/mol:	-32.95
Dipole, Da:	3.79
IP(EA), eV:	-9.37(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-2-chloro-4-[4-(trifluoromethyl)phenyl]butanenitrile

Drug info:

PubChemData

Smile

C1CNC2(CNCC2=C1)CO

DOS

IR

Vibrations