Geometry & MOs

Info

ID:	254342
PubChem CID:	103124495
Reduced:	N2O3H10C12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	-66.03
Dipole, Da:	7.52
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(2-oxo-1H-imidazol-3-yl)methyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)O)N2C=CNC2=O

DOS

IR

Vibrations