Geometry & MOs

Info

ID:	70828
PubChem CID:	48413921
Reduced:	ClON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	288.984338
ΔH_f, kcal/mol:	72.59
Dipole, Da:	8.08
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations