Geometry & MOs

Info

ID:	150671
PubChem CID:	53790365
Reduced:	IO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-109.55
Dipole, Da:	1.71
IP(EA), eV:	-9.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S)-13-(2-hydroxyethyl)-2-methoxy-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2C(=O)C(OC2=O)CCI

DOS

IR

Vibrations