Geometry & MOs

Info

ID:	272331
PubChem CID:	103739895
Reduced:	ClN3O3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	327.99934
ΔH_f, kcal/mol:	-27.88
Dipole, Da:	5.03
IP(EA), eV:	-9.94(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C)C(=O)C1=CC(=NC=C1[N+](=O)[O-])Cl

DOS

IR

Vibrations