Geometry & MOs

Info

ID:	381193
PubChem CID:	134971848
Reduced:	IC29H51 (1)
Stoich.:	AB29C51 (1)
Weight, g/mol:	446.375995
ΔH_f, kcal/mol:	-92.37
Dipole, Da:	2.99
IP(EA), eV:	-9.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl) acetate

Drug info:

PubChemData

Smile

CCCCCCCCC1CCC2C1(CCC3C2CCC4(C3(CC(C(C4)I)C)C)C)C

DOS

IR

Vibrations