Geometry & MOs

Info

ID:	179992
PubChem CID:	76563543
Reduced:	NNaO2H8C10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	324.093249
ΔH_f, kcal/mol:	-98.74
Dipole, Da:	9.81
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[4-[2-[5-(dimethylamino)thiophen-2-yl]ethenyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1C2C(C3=CC=CC=C31)[N-]C(=O)O2.[Na+]

DOS

IR

Vibrations