Geometry & MOs

Info

ID:	337702
PubChem CID:	127258325
Reduced:	BrNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	269.056719
ΔH_f, kcal/mol:	-96.4
Dipole, Da:	8.12
IP(EA), eV:	-8.81(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(3-chloro-2-methylphenyl)-3-(hydroxyamino)-2-nitrosobut-2-enamide

Drug info:

PubChemData

Smile

CCO/C=C(\C(=O)C)/C(=O)NC1=CC(=CC=C1)Br

DOS

IR

Vibrations