Geometry & MOs

Info

ID:	399108
PubChem CID:	135037828
Reduced:	OC19H30 (1)
Stoich.:	AB19C30 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-62.47
Dipole, Da:	4.27
IP(EA), eV:	-9.57(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-6-(2-hydroxyethyl)-5,7-dimethyl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC=CC[C@]1(C)CC[C@]2(CCC(=O)C=C2)C

DOS

IR

Vibrations