Geometry & MOs

Info

ID:	153124
PubChem CID:	56312266
Reduced:	N5O5C22H29 (1)
Stoich.:	A5B5C22D29 (1)
Weight, g/mol:	432.23254
ΔH_f, kcal/mol:	-194.9
Dipole, Da:	6.18
IP(EA), eV:	-8.27(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)C3=C(N(C(=O)N(C3=O)C)C)N

DOS

IR

Vibrations