Geometry & MOs

Info

ID:	351698
PubChem CID:	127282098
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-73.96
Dipole, Da:	5.02
IP(EA), eV:	-9.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations