Geometry & MOs

Info

ID:	168753
PubChem CID:	75014363
Reduced:	O3C26H38 (1)
Stoich.:	A3B26C38 (1)
Weight, g/mol:	437.256609
ΔH_f, kcal/mol:	-156.64
Dipole, Da:	3.57
IP(EA), eV:	-9.02(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) 1-(3-hydroxypropyl)-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(C4)OC(=C5)C(=O)C(C)(C)C)C

DOS

IR

Vibrations