Geometry & MOs

Info

ID:	339861
PubChem CID:	127261870
Reduced:	N2O7C12H12 (1)
Stoich.:	A2B7C12D12 (1)
Weight, g/mol:	237.063722
ΔH_f, kcal/mol:	-186.54
Dipole, Da:	3.59
IP(EA), eV:	-9.79(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=C/C(=C/N[C@@H](CC(=O)O)C(=O)O)/C1=O)[N+](=O)[O-]

DOS

IR

Vibrations