Geometry & MOs

Info

ID:	5855
PubChem CID:	13909
Reduced:	N3O4C8H11 (1)
Stoich.:	A3B4C8D11 (1)
Weight, g/mol:	213.074956
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	6.82
IP(EA), eV:	-10.21(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=NC=C1[N+](=O)[O-])C

DOS

IR

Vibrations