Geometry & MOs

Info

ID:	337695
PubChem CID:	127258318
Reduced:	NCl2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	255.041069
ΔH_f, kcal/mol:	-115.9
Dipole, Da:	8.05
IP(EA), eV:	-8.82(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(2-chlorophenyl)-3-(hydroxyamino)-2-nitrosobut-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations