Geometry & MOs

Info

ID:	191494
PubChem CID:	78154213
Reduced:	N4O4C18H19 (1)
Stoich.:	A4B4C18D19 (1)
Weight, g/mol:	389.161366
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	5.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.073631
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(2,3-dioxoquinoxalin-1-ium-1-yl)ethyl]-3-(1-methylindol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NCC[N+]2=C3C=CC=CC3=NC(=O)C2=O

DOS

IR

Vibrations