Geometry & MOs

Info

ID:	244804
PubChem CID:	99381479
Reduced:	FO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	370.180504
ΔH_f, kcal/mol:	-73.41
Dipole, Da:	6.23
IP(EA), eV:	-9.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CC(=O)N)C(=O)C2=NN(C3=C2CCC3)C4=CC=CC=C4F

DOS

IR

Vibrations