Geometry & MOs

Info

ID:	148207
PubChem CID:	53787869
Reduced:	NO8C33H37 (1)
Stoich.:	AB8C33D37 (1)
Weight, g/mol:	241.014185
ΔH_f, kcal/mol:	-203.88
Dipole, Da:	5.16
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)iminobutanedioic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCC(=C)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations