Geometry & MOs

Info

ID:	23454
PubChem CID:	603773
Reduced:	N3O4C6H7 (1)
Stoich.:	A3B4C6D7 (1)
Weight, g/mol:	185.043656
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	6.36
IP(EA), eV:	-10.6(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-5-nitroimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C=NC(=C1C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations