Geometry & MOs

Info

ID:	135129
PubChem CID:	51819340
Reduced:	N2O3C25H34 (1)
Stoich.:	A2B3C25D34 (1)
Weight, g/mol:	240.074621
ΔH_f, kcal/mol:	-103.28
Dipole, Da:	5.58
IP(EA), eV:	-9.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(2R)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)pentanedioate

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=CC=C1C)N(C(=O)C2=CC=CC=C2OC)C(C)(C)C

DOS

IR

Vibrations