Geometry & MOs

Info

ID:	329725
PubChem CID:	127246592
Reduced:	ON4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	321.094726
ΔH_f, kcal/mol:	40.65
Dipole, Da:	5.19
IP(EA), eV:	-9.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations