Geometry & MOs

Info

ID:	71656
PubChem CID:	48415164
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	370.156039
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	5.73
IP(EA), eV:	-8.75(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations