Geometry & MOs

Info

ID:	21300
PubChem CID:	587879
Reduced:	N3O4C7H9 (1)
Stoich.:	A3B4C7D9 (1)
Weight, g/mol:	199.059306
ΔH_f, kcal/mol:	-70.92
Dipole, Da:	8.68
IP(EA), eV:	-10.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-nitro-1H-imidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)CCC1=C(N=CN1)[N+](=O)[O-]

DOS

IR

Vibrations