Geometry & MOs

Info

ID:	221980
PubChem CID:	85293119
Reduced:	ClN4H25C26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	432.251189
ΔH_f, kcal/mol:	124.56
Dipole, Da:	4.67
IP(EA), eV:	-8.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(11-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] acetate

Drug info:

PubChemData

Smile

C1CN(CCN1CC=CC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

DOS

IR

Vibrations