Geometry & MOs

Info

ID:	15511
PubChem CID:	443136
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	4.48
IP(EA), eV:	-9.46(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC=C([C@@H](C1(C)C)C=CC(=O)C)C

DOS

IR

Vibrations