Geometry & MOs

Info

ID:	321904
PubChem CID:	126667253
Reduced:	BrClNF2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	234.073532
ΔH_f, kcal/mol:	-103.17
Dipole, Da:	3.33
IP(EA), eV:	-9.61(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-chloro-5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-4H-pyridine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Br)CCCC(N)(F)F

DOS

IR

Vibrations