Geometry & MOs

Info

ID:	180513
PubChem CID:	76647866
Reduced:	NOC33H37 (1)
Stoich.:	ABC33D37 (1)
Weight, g/mol:	357.01666
ΔH_f, kcal/mol:	-8.53
Dipole, Da:	3.56
IP(EA), eV:	-8.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2CC3C(CCCC3C4=CC(=CC(=CNC5=CC=CC=C5)C4=O)C6=CC=CC=C6)CC2C1

DOS

IR

Vibrations