Geometry & MOs

Info

ID:	180515
PubChem CID:	76647868
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	363.063611
ΔH_f, kcal/mol:	4.93
Dipole, Da:	3.46
IP(EA), eV:	-8.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one;dichlorotitanium

Drug info:

PubChemData

Smile

CCCC1=CC=CC(=CNC2=CC=CC=C2)C1=O

DOS

IR

Vibrations