Geometry & MOs

Info

ID:	80676
PubChem CID:	49835859
Reduced:	BrO2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	281.067465
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	5.03
IP(EA), eV:	-9.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-hydroxy-6-nitro-2-phenylindazol-2-ium-3-carbonitrile

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC(=NC=C1)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations