Geometry & MOs

Info

ID:	69621
PubChem CID:	47205038
Reduced:	OF3N3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	-139.03
Dipole, Da:	4.36
IP(EA), eV:	-9.97(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCC2=CC=NN2)C(F)(F)F

DOS

IR

Vibrations