Geometry & MOs

Info

ID:	14589
PubChem CID:	415517
Reduced:	NO2C28H45 (1)
Stoich.:	AB2C28D45 (1)
Weight, g/mol:	427.34503
ΔH_f, kcal/mol:	-150.17
Dipole, Da:	1.89
IP(EA), eV:	-8.96(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCN5CCCC5)C)C

DOS

IR

Vibrations