Geometry & MOs

Info

ID:	222562
PubChem CID:	85305528
Reduced:	NOH11C12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	370.214409
ΔH_f, kcal/mol:	73.86
Dipole, Da:	5.84
IP(EA), eV:	-8.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxy-13-methyl-1,2,7,8,9,10,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3(C1=O)CC4C(=C)C(C=C3)C(=O)N4CC5=CC=CC=C5

DOS

IR

Vibrations