Geometry & MOs

Info

ID:	17291
PubChem CID:	491914
Reduced:	N2O5H16C18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	340.105922
ΔH_f, kcal/mol:	-44.05
Dipole, Da:	6.18
IP(EA), eV:	-8.39(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(4-methoxyphenoxy)methyl]-4-oxido-1-oxoquinoxalin-1-ium-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])COC3=CC=C(C=C3)OC

DOS

IR

Vibrations