Geometry & MOs

Info

ID:	360289
PubChem CID:	127300932
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	384.196154
ΔH_f, kcal/mol:	-27.7
Dipole, Da:	3.52
IP(EA), eV:	-8.61(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=C(N=CC=C3)N4CCOCC4

DOS

IR

Vibrations