Geometry & MOs

Info

ID:	426027
PubChem CID:	135135023
Reduced:	Br2N2O3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	315.030323
ΔH_f, kcal/mol:	12.91
Dipole, Da:	2.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.636535
Charge, e:	1

Chem-info

IUPAC name:

(Z)-[4,5-dichloro-2-(hydroxyamino)phenyl]-(2-hydroxycyclohexa-2,4-dien-1-ylidene)-methoxyazanium

Drug info:

PubChemData

Smile

CONC1=CC(=C(C=C1/[N+](=C/2\CC=CC=C2O)/O)Br)Br

DOS

IR

Vibrations