Geometry & MOs

Info

ID:	191081
PubChem CID:	78102415
Reduced:	ClN4O4C24H29 (1)
Stoich.:	AB4C4D24E29 (1)
Weight, g/mol:	562.246772
ΔH_f, kcal/mol:	-58.04
Dipole, Da:	12.37
IP(EA), eV:	-8.94(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7-dimethoxy-2-(3-methoxyphenyl)-9,10-dihydrophenanthrene-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(C4=O)C(=O)O)C=C21)CN5CCC(CC5)N.Cl

DOS

IR

Vibrations