Geometry & MOs

Info

ID:	339412
PubChem CID:	127261308
Reduced:	OH16C17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	8.59
Dipole, Da:	4.42
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-5-[(E)-2-methylbut-2-enyl]cyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=CC(=CC=C2)C(=O)C

DOS

IR

Vibrations