Geometry & MOs

Info

ID:	171594
PubChem CID:	75400800
Reduced:	SO4N5C15H17 (1)
Stoich.:	AB4C5D15E17 (1)
Weight, g/mol:	417.252861
ΔH_f, kcal/mol:	-82.56
Dipole, Da:	3.89
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzyl-3-propylpiperazin-1-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=N1)CNS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations