Geometry & MOs

Info

ID:	226007
PubChem CID:	87246594
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	401.132667
ΔH_f, kcal/mol:	59.29
Dipole, Da:	1.38
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-imidazolidin-1-yl-6-(trifluoromethyl)-6-[[2-(trifluoromethyl)phenyl]methyl]cyclohexa-2,4-diene-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43.N.N

DOS

IR

Vibrations