Geometry & MOs

Info

ID:	329767
PubChem CID:	127246634
Reduced:	FON4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	339.085304
ΔH_f, kcal/mol:	-26.2
Dipole, Da:	5.76
IP(EA), eV:	-8.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=C(C4=C(N3)C=CC(=C4)F)C

DOS

IR

Vibrations