Geometry & MOs

Info

ID:	26298
PubChem CID:	643859
Reduced:	ON2C4H4 (2)
Stoich.:	AB2C4D4 (2)
Weight, g/mol:	160.003955
ΔH_f, kcal/mol:	73.71
Dipole, Da:	6.48
IP(EA), eV:	-8.17(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-amino-3-chloro-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CN1C=NN=C2C1=C/C(=[N+](\O)/[O-])/C=C2

DOS

IR

Vibrations