Geometry & MOs

Info

ID:	18459
PubChem CID:	541211
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-121.57
Dipole, Da:	3.75
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxy-13-methyl-2-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CCC4(C3=CC(=O)C=C4)OC)C

DOS

IR

Vibrations