Geometry & MOs

Info

ID:	426026
PubChem CID:	135135022
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	404.92724
ΔH_f, kcal/mol:	-4.36
Dipole, Da:	1.9
IP(EA), eV:	-8.13(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-[4,5-dibromo-2-(methoxyamino)phenyl]-hydroxy-(2-hydroxycyclohexa-2,4-dien-1-ylidene)azanium

Drug info:

PubChemData

Smile

CC1=C(C2=[N+](C3=CC=CC=C3[N+](=C2C=C1)OC)OC)OC

DOS

IR

Vibrations