Geometry & MOs

Info

ID:	360341
PubChem CID:	127300984
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	384.196154
ΔH_f, kcal/mol:	23.87
Dipole, Da:	0.82
IP(EA), eV:	-8.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CN(C)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations