Geometry & MOs

Info

ID:	25631
PubChem CID:	627671
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	305.102749
ΔH_f, kcal/mol:	36.05
Dipole, Da:	6.56
IP(EA), eV:	-8.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1C(=NC2=CC=CC=C2C1=O)C=CC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations