Geometry & MOs

Info

ID:	227650
PubChem CID:	87562163
Reduced:	ClH13C18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	198.064057
ΔH_f, kcal/mol:	35.3
Dipole, Da:	1.89
IP(EA), eV:	-8.74(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-2-cyanobut-2-enyl]amino]propanedioic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43.Cl

DOS

IR

Vibrations