Geometry & MOs

Info

ID:	393641
PubChem CID:	135021335
Reduced:	ClSiO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	254.167065
ΔH_f, kcal/mol:	-176.36
Dipole, Da:	2.29
IP(EA), eV:	-9.32(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,6aR,11aS,11bS)-11b-methyl-2,4,4a,5,6,6a,11,11a-octahydro-1H-benzo[a]fluoren-3-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/CC1=CC=C(C=C1)Cl)/O[Si](CC)(CC)CC

DOS

IR

Vibrations