Geometry & MOs

Info

ID:	244790
PubChem CID:	99381465
Reduced:	FON2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	388.171082
ΔH_f, kcal/mol:	-119.63
Dipole, Da:	3.62
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[1-(3,4-difluorophenyl)-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(=C(C=C4)F)F

DOS

IR

Vibrations