Geometry & MOs

Info

ID:	254553
PubChem CID:	103126083
Reduced:	BrN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	238.041213
ΔH_f, kcal/mol:	77.43
Dipole, Da:	3.08
IP(EA), eV:	-8.42(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(CC3=CC=CC=C3Br)N

DOS

IR

Vibrations