Geometry & MOs

Info

ID:	231901
PubChem CID:	87574869
Reduced:	NO2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	350.048526
ΔH_f, kcal/mol:	-109.36
Dipole, Da:	4.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754987
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;2-(3-carboxypropanoyloxy)butanedioic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)[N+](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations