Geometry & MOs

Info

ID:	339430
PubChem CID:	127261326
Reduced:	ClOH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	3.43
Dipole, Da:	3.68
IP(EA), eV:	-9.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[(E)-2-methylbut-2-enyl]cyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)CCl

DOS

IR

Vibrations