Geometry & MOs

Info

ID:	149364
PubChem CID:	53789036
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	586.441967
ΔH_f, kcal/mol:	-71.76
Dipole, Da:	1.97
IP(EA), eV:	-8.89(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(1-ethylsulfonyl-2,6-dimethylhepta-1,5-dienyl)-2,6,12,16,20-pentamethylhenicosa-2,6,11,15,19-pentaen-9-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CN1CC=CC)C

DOS

IR

Vibrations