Geometry & MOs

Info

ID:	330180
PubChem CID:	127247167
Reduced:	FSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	2.49
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-benzofuran-5-yl)-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)S(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations