Geometry & MOs

Info

ID:	387947
PubChem CID:	134987496
Reduced:	BrNO3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	5.49
IP(EA), eV:	-9.52(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-amino-2-cyano-3-(4-methoxyphenoxy)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C(/[N+](=O)[O-])\Br)O

DOS

IR

Vibrations