Geometry & MOs

Info

ID:	217846
PubChem CID:	85088484
Reduced:	NO3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	405.266779
ΔH_f, kcal/mol:	-91.33
Dipole, Da:	4.0
IP(EA), eV:	-8.28(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)OC(CNC(C)C)COC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations