Geometry & MOs

Info

ID:	368372
PubChem CID:	127328248
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	5.46
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations