Geometry & MOs

Info

ID:	131348
PubChem CID:	51194285
Reduced:	BrN3O3C11H14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	319.116821
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	4.31
IP(EA), eV:	-9.18(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-(4-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CCNC(=O)C(C)NC1=C(C=C(C=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations