Geometry & MOs

Info

ID:	323340
PubChem CID:	126674399
Reduced:	SF4N6H22C24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	385.126519
ΔH_f, kcal/mol:	-76.86
Dipole, Da:	4.59
IP(EA), eV:	-8.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohex-2-en-1-yl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline

Drug info:

PubChemData

Smile

CC1=NSC(=C1)N2C[C@H]3CC[C@@H](C2)C3NC4=NN5C=CC=C(C5=N4)C6=C(C=CC(=C6)F)C(F)(F)F

DOS

IR

Vibrations