Geometry & MOs

Info

ID:	338706
PubChem CID:	127259717
Reduced:	NO2H21C27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	278.103083
ΔH_f, kcal/mol:	51.84
Dipole, Da:	0.72
IP(EA), eV:	-8.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-(4-aminophenyl)ethenyl]-3-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)/C=C/C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations