Geometry & MOs

Info

ID:	337869
PubChem CID:	127258492
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	283.97965
ΔH_f, kcal/mol:	-98.26
Dipole, Da:	6.86
IP(EA), eV:	-10.35(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(4-bromophenyl)hydrazinylidene]-3-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OC/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/C=O

DOS

IR

Vibrations