Geometry & MOs

Info

ID:	218037
PubChem CID:	85088776
Reduced:	OC30H46 (1)
Stoich.:	AB30C46 (1)
Weight, g/mol:	422.149616
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	2.95
IP(EA), eV:	-8.94(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetyl-5-chloro-1-hydroxy-9a,11a-dimethyl-7-oxo-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-10-yl) acetate

Drug info:

PubChemData

Smile

CC(=CCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC1C(O1)(C)C)C)C#C)C

DOS

IR

Vibrations