Geometry & MOs

Info

ID:	411477
PubChem CID:	135084308
Reduced:	NOC7H13 (1)
Stoich.:	ABC7D13 (1)
Weight, g/mol:	232.065493
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	1.35
IP(EA), eV:	-9.7(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-(3-chlorophenyl)ethenyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)C(=C)/C(=N/O)/C

DOS

IR

Vibrations