Geometry & MOs

Info

ID:	399922
PubChem CID:	135043834
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	188.08373
ΔH_f, kcal/mol:	-204.69
Dipole, Da:	3.15
IP(EA), eV:	-10.66(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxy-2-propan-2-ylidene-3H-inden-1-one

Drug info:

PubChemData

Smile

CC(CC1CCCCC1)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations