Geometry & MOs

Info

ID:	18460
PubChem CID:	541285
Reduced:	OC27H46 (1)
Stoich.:	AB27C46 (1)
Weight, g/mol:	386.354866
ΔH_f, kcal/mol:	-126.74
Dipole, Da:	2.69
IP(EA), eV:	-9.37(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-ol

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4C3(CCCC4O)C)C

DOS

IR

Vibrations