Geometry & MOs

Info

ID:	441084
PubChem CID:	135233029
Reduced:	ClNO2F9H11C20 (1)
Stoich.:	ABC2D9E11F20 (1)
Weight, g/mol:	188.131349
ΔH_f, kcal/mol:	-496.37
Dipole, Da:	5.24
IP(EA), eV:	-9.45(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-en-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C(O2)C(F)(F)F)C(NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O)Cl

DOS

IR

Vibrations