Geometry & MOs

Info

ID:	330127
PubChem CID:	127247114
Reduced:	ClFON3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	307.088768
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	4.77
IP(EA), eV:	-9.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations