Geometry & MOs

Info

ID:	147162
PubChem CID:	53786815
Reduced:	OC7H10 (5)
Stoich.:	AB7C10 (5)
Weight, g/mol:	430.15074
ΔH_f, kcal/mol:	-237.54
Dipole, Da:	5.83
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(7R,17E)-17-(2-bromoethylidene)-2,7,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC

DOS

IR

Vibrations