Geometry & MOs

Info

ID:	225553
PubChem CID:	85852876
Reduced:	FH14C15 (2)
Stoich.:	AB14C15 (2)
Weight, g/mol:	318.097998
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	3.17
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethylbenzamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4=C(C=C(C=C4)CCC)F)F

DOS

IR

Vibrations