Geometry & MOs

Info

ID:	180518
PubChem CID:	76647917
Reduced:	NOC24H31 (1)
Stoich.:	ABC24D31 (1)
Weight, g/mol:	419.032311
ΔH_f, kcal/mol:	-30.94
Dipole, Da:	5.79
IP(EA), eV:	-7.97(-0.57)
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;dichlorotitanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=CC(=CNC3CCC(CC3)C(C)(C)C)C2=O

DOS

IR

Vibrations