Geometry & MOs

Info

ID:	293076
PubChem CID:	117373376
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-113.04
Dipole, Da:	3.29
IP(EA), eV:	-9.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC(C)N1CCN(C1=O)C2=CC=CC=C2C(=O)O

DOS

IR

Vibrations