Geometry & MOs

Info

ID:	71239
PubChem CID:	48414504
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	19.53
Dipole, Da:	1.77
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

DOS

IR

Vibrations