Geometry & MOs

Info

ID:	330189
PubChem CID:	127247176
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	317.153955
ΔH_f, kcal/mol:	-1.56
Dipole, Da:	4.96
IP(EA), eV:	-9.1(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenoxy)-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3=CSC4=C3CCCC4

DOS

IR

Vibrations