Geometry & MOs

Info

ID:	337680
PubChem CID:	127258303
Reduced:	N3O3C6H7 (1)
Stoich.:	A3B3C6D7 (1)
Weight, g/mol:	293.116427
ΔH_f, kcal/mol:	-38.49
Dipole, Da:	3.52
IP(EA), eV:	-10.55(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(N-benzylanilino)-3-diazonio-4-oxobut-2-en-2-olate

Drug info:

PubChemData

Smile

CC(=O)/C(=N\OCC#N)/C(=O)N

DOS

IR

Vibrations