Geometry & MOs

Info

ID:	20548
PubChem CID:	584563
Reduced:	OC29H50 (1)
Stoich.:	AB29C50 (1)
Weight, g/mol:	414.386166
ΔH_f, kcal/mol:	-145.26
Dipole, Da:	2.33
IP(EA), eV:	-8.83(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,3,4,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2=C3CCC4CC(C(CC4(C3CCC12C)C)(C)C)O

DOS

IR

Vibrations