Geometry & MOs

Info

ID:	45824
PubChem CID:	10517899
Reduced:	O3C7H15 (2)
Stoich.:	A3B7C15 (2)
Weight, g/mol:	294.198365
ΔH_f, kcal/mol:	-295.37
Dipole, Da:	5.06
IP(EA), eV:	-9.72(1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S)-4,6-diethyl-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol

Drug info:

PubChemData

Smile

CC(COCCCO)(COCCCO)COCCCO

DOS

IR

Vibrations