Geometry & MOs

Info

ID:	83614
PubChem CID:	49858857
Reduced:	NO8C17H19 (1)
Stoich.:	AB8C17D19 (1)
Weight, g/mol:	560.20597
ΔH_f, kcal/mol:	-275.83
Dipole, Da:	5.93
IP(EA), eV:	-10.08(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(1H-indol-3-yl)ethyl]-3-(3-methoxyprop-1-enyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] quinoxaline-2-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](C(O[C@@H]2O1)[C@@H](CON3C(=O)C4=CC=CC=C4C3=O)O)O)C

DOS

IR

Vibrations