Geometry & MOs

Info

ID:	193664
PubChem CID:	78421582
Reduced:	NO4C11H13 (2)
Stoich.:	AB4C11D13 (2)
Weight, g/mol:	477.0284
ΔH_f, kcal/mol:	-286.33
Dipole, Da:	9.17
IP(EA), eV:	-8.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-[[[2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-1-ium-2-yl]oxyacetyl]hydrazinylidene]methyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations