Geometry & MOs

Info

ID:	226098
PubChem CID:	87323458
Reduced:	O4C23H30 (1)
Stoich.:	A4B23C30 (1)
Weight, g/mol:	245.017166
ΔH_f, kcal/mol:	-164.8
Dipole, Da:	2.43
IP(EA), eV:	-9.53(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[[(Z)-1,2-dicarboxyethenyl]amino]but-2-enedioic acid

Drug info:

PubChemData

Smile

COC(=O)CCC/C=C/C[C@@H]1[C@H](CCC1=O)C2=CC=C(C=C2)C3(CCC3)O

DOS

IR

Vibrations