Geometry & MOs

Info

ID:	25535
PubChem CID:	626300
Reduced:	ClO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	294.07529
ΔH_f, kcal/mol:	11.35
Dipole, Da:	4.1
IP(EA), eV:	-9.27(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-2-(quinoxalin-6-yliminomethyl)phenol

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)Cl)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations