Geometry & MOs

Info

ID:	176969
PubChem CID:	76119289
Reduced:	N5O7C20H21 (1)
Stoich.:	A5B7C20D21 (1)
Weight, g/mol:	456.407964
ΔH_f, kcal/mol:	-186.68
Dipole, Da:	5.85
IP(EA), eV:	-9.1(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13,17-trimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C=C(CCN1C=CC2=NC(=NC(=O)C21)N)C3=CC=C(O3)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations