Geometry & MOs

Info

ID:	337667
PubChem CID:	127258290
Reduced:	OCl2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	-28.47
Dipole, Da:	3.77
IP(EA), eV:	-9.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-2-nitroso-N-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C(/CCCl)\C=O)/Cl

DOS

IR

Vibrations