Geometry & MOs

Info

ID:	180516
PubChem CID:	76647869
Reduced:	NOTiCl2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-113.21
Dipole, Da:	2.75
IP(EA), eV:	-8.4(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(anilinomethylidene)-2-cyclopentyl-4-methylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)NC=C1C=CC=C(C1=O)C2CCCCC2.Cl[Ti]Cl

DOS

IR

Vibrations