Geometry & MOs

Info

ID:	180519
PubChem CID:	76647944
Reduced:	NOTiCl2H19C21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	301.146664
ΔH_f, kcal/mol:	-46.0
Dipole, Da:	6.52
IP(EA), eV:	-8.44(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(anilinomethylidene)-4-methyl-2-(4-methylphenyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=CC(=CNC3=CC=CC=C3)C2=O)C.Cl[Ti]Cl

DOS

IR

Vibrations