Geometry & MOs

Info

ID:	338405
PubChem CID:	127259097
Reduced:	BrNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	266.96434
ΔH_f, kcal/mol:	-92.52
Dipole, Da:	4.11
IP(EA), eV:	-9.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(3-bromophenyl)hydrazinylidene]-2-cyanoacetic acid

Drug info:

PubChemData

Smile

CC(=O)OC(C=O)NC1=CC(=CC=C1)Br

DOS

IR

Vibrations