Geometry & MOs

Info

ID:	358350
PubChem CID:	127295895
Reduced:	ON3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	342.18559
ΔH_f, kcal/mol:	-59.17
Dipole, Da:	4.88
IP(EA), eV:	-8.81(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations