Geometry & MOs

Info

ID:	390583
PubChem CID:	134999823
Reduced:	N3O4H17C21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-76.32
Dipole, Da:	6.12
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2=CC=CC=C2)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations