Geometry & MOs

Info

ID:	191086
PubChem CID:	78102718
Reduced:	PN4O5C20H25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	512.231122
ΔH_f, kcal/mol:	-225.91
Dipole, Da:	4.82
IP(EA), eV:	-9.94(-0.51)
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-prop-2-enoxy-9,10-dihydrophenanthrene-3-carboxamide

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=C(C=C1)C(C)NC(=O)C2CNC(NC2=O)C3=CC=CC=N3)O

DOS

IR

Vibrations