Geometry & MOs

Info

ID:	425491
PubChem CID:	135126537
Reduced:	O6C21H22 (1)
Stoich.:	A6B21C22 (1)
Weight, g/mol:	348.23006
ΔH_f, kcal/mol:	-195.08
Dipole, Da:	2.94
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dihydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCO)C)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC

DOS

IR

Vibrations