Geometry & MOs

Info

ID:	217023
PubChem CID:	85087130
Reduced:	ClO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	324.091707
ΔH_f, kcal/mol:	-151.25
Dipole, Da:	6.47
IP(EA), eV:	-9.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methylidene]-6-[(4-hydroxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)CC(=O)CCC(C=CCl)OC)OC

DOS

IR

Vibrations