Geometry & MOs

Info

ID:	20025
PubChem CID:	577126
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	3.26
IP(EA), eV:	-8.59(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations