Geometry & MOs

Info

ID:	226009
PubChem CID:	87246599
Reduced:	N3F6H15C19 (1)
Stoich.:	A3B6C15D19 (1)
Weight, g/mol:	399.117016
ΔH_f, kcal/mol:	-227.85
Dipole, Da:	5.35
IP(EA), eV:	-9.67(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazolidin-1-yl-2-(trifluoromethyl)-4-(2,2,2-trifluoro-1-phenylethyl)benzonitrile

Drug info:

PubChemData

Smile

C1CN(CN1)C2=C(C(=CC(=C2CC3=CC=CC=C3)C(F)(F)F)C#N)C(F)(F)F

DOS

IR

Vibrations