Geometry & MOs

Info

ID:	272623
PubChem CID:	103750281
Reduced:	OSN4C10H12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	378.88126
ΔH_f, kcal/mol:	20.53
Dipole, Da:	1.93
IP(EA), eV:	-9.71(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(NN=C1)NC(=O)C2=CN=C(S2)C

DOS

IR

Vibrations