Geometry & MOs

Info

ID:	185888
PubChem CID:	77365899
Reduced:	NO3C36H69 (1)
Stoich.:	AB3C36D69 (1)
Weight, g/mol:	442.30831
ΔH_f, kcal/mol:	-266.51
Dipole, Da:	6.87
IP(EA), eV:	-9.26(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) decanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN1CCCCCC1=O.CCCCCCCCC=CCCCCCCCC(=O)O

DOS

IR

Vibrations