Geometry & MOs

Info

ID:	6121
PubChem CID:	67086
Reduced:	O2C27H40 (1)
Stoich.:	A2B27C40 (1)
Weight, g/mol:	396.302831
ΔH_f, kcal/mol:	-134.59
Dipole, Da:	1.84
IP(EA), eV:	-8.39(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-butyl-3-cyclopentyloxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CCCCC1(CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC5CCCC5)C)O

DOS

IR

Vibrations