Geometry & MOs

Info

ID:	20099
PubChem CID:	579297
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	-62.88
Dipole, Da:	3.49
IP(EA), eV:	-9.1(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6,6-trimethylcyclohexen-1-yl)propanal

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCC=O

DOS

IR

Vibrations