Geometry & MOs

Info

ID:	373584
PubChem CID:	131317513
Reduced:	BrNSF2H4C10 (1)
Stoich.:	ABCD2E4F10 (1)
Weight, g/mol:	249.053212
ΔH_f, kcal/mol:	-20.7
Dipole, Da:	5.89
IP(EA), eV:	-9.4(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-chloro-3-(difluoromethyl)-2-fluorophenyl]pyrrolidine

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)Br)C(=C1C#N)C(F)F

DOS

IR

Vibrations