Geometry & MOs

Info

ID:	180514
PubChem CID:	76647867
Reduced:	NOTiCl2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	239.131014
ΔH_f, kcal/mol:	-106.49
Dipole, Da:	13.74
IP(EA), eV:	-7.3(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(anilinomethylidene)-2-propylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCC1=CC=CC(=CNC2=CC=CC=C2)C1=O.Cl[Ti]Cl

DOS

IR

Vibrations