Geometry & MOs

Info

ID:	317656
PubChem CID:	126644879
Reduced:	N2O2F3H17C20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	298.165683
ΔH_f, kcal/mol:	-166.34
Dipole, Da:	5.25
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,4-dimethylcyclohexylidene)amino]-4-(1,1,2-trifluoroethyl)aniline

Drug info:

PubChemData

Smile

COC(=O)C1CN(C1)C2=CC=CC(=C2)N3C=CC4=C3C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations