Geometry & MOs

Info

ID:	46015
PubChem CID:	10520445
Reduced:	O7C16H26 (1)
Stoich.:	A7B16C26 (1)
Weight, g/mol:	330.183109
ΔH_f, kcal/mol:	-301.34
Dipole, Da:	4.54
IP(EA), eV:	-10.21(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]-2,2,4-trimethylcyclohex-3-en-1-one

Drug info:

PubChemData

Smile

CCCCCC(=O)CC(=O)OC[C@]12[C@H]([C@H](CO1)O)OC(O2)(C)C

DOS

IR

Vibrations