Geometry & MOs

Info

ID:	229627
PubChem CID:	87568231
Reduced:	C7O8H14 (1)
Stoich.:	A7B8C14 (1)
Weight, g/mol:	323.224915
ΔH_f, kcal/mol:	-353.43
Dipole, Da:	5.15
IP(EA), eV:	-10.73(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9R,10R,13S,14S)-3-hydroxy-10,13-dimethyl-15,16-dimethylidene-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile

Drug info:

PubChemData

Smile

COC(C(C(=O)O)O)C(=O)O.C(CO)O

DOS

IR

Vibrations