Geometry & MOs

Info

ID:	225489
PubChem CID:	85852526
Reduced:	BrO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	516.32396
ΔH_f, kcal/mol:	-73.42
Dipole, Da:	1.43
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 4-nonoxybenzoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C(=C1)O)C(=O)C=CC2=CC=CC=C2)Br

DOS

IR

Vibrations