Geometry & MOs

Info

ID:	365835
PubChem CID:	127318775
Reduced:	ClON6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	51.49
Dipole, Da:	5.48
IP(EA), eV:	-9.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1H-pyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1C2=CC=CC=C2Cl)C(=O)N3CCCCC3C4=CNN=C4

DOS

IR

Vibrations