Geometry & MOs

Info

ID:	70844
PubChem CID:	48413943
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	316.133554
ΔH_f, kcal/mol:	38.33
Dipole, Da:	4.0
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations