Geometry & MOs

Info

ID:	18368
PubChem CID:	539961
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	3.27
IP(EA), eV:	-8.78(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)pent-3-en-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations