Geometry & MOs

Info

ID:	225560
PubChem CID:	85856105
Reduced:	NF2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	272.056133
ΔH_f, kcal/mol:	-182.99
Dipole, Da:	0.34
IP(EA), eV:	-8.83(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanophenyl)-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)OCCCCC(=C(F)F)C

DOS

IR

Vibrations