Geometry & MOs

Info

ID:	330126
PubChem CID:	127247113
Reduced:	N5C18H19 (1)
Stoich.:	A5B18C19 (1)
Weight, g/mol:	307.088768
ΔH_f, kcal/mol:	107.14
Dipole, Da:	2.45
IP(EA), eV:	-9.3(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)CC3=CN=C(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations