Geometry & MOs

Info

ID:	388717
PubChem CID:	134989988
Reduced:	BrON3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-34.27
Dipole, Da:	6.98
IP(EA), eV:	-8.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-2-(2-oxopropyl)-1H-imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C=C(N=C1Br)NC(=O)C

DOS

IR

Vibrations