Geometry & MOs

Info

ID:	394735
PubChem CID:	135023662
Reduced:	NF6H17C23 (1)
Stoich.:	AB6C17D23 (1)
Weight, g/mol:	378.134383
ΔH_f, kcal/mol:	-236.44
Dipole, Da:	5.66
IP(EA), eV:	-9.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-1,3-diphenylprop-2-enyl]amino]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(C2=CC=CC=C2)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations