Geometry & MOs

Info

ID:	21181
PubChem CID:	587479
Reduced:	N4O5H12C13 (1)
Stoich.:	A4B5C12D13 (1)
Weight, g/mol:	304.080769
ΔH_f, kcal/mol:	-77.34
Dipole, Da:	3.07
IP(EA), eV:	-9.57(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-nitrophenyl)carbamoyl]-1H-imidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations