Geometry & MOs

Info

ID:	390516
PubChem CID:	134999520
Reduced:	NPSO2F6C9H13 (2)
Stoich.:	ABCD2E6F9G13 (2)
Weight, g/mol:	319.01835
ΔH_f, kcal/mol:	-979.59
Dipole, Da:	7.33
IP(EA), eV:	-8.23(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]pyrrolidine

Drug info:

PubChemData

Smile

CC1=C(SC=[N+]1CCOCCOCC[N+]2=CSC(=C2C)C(=O)C)C(=O)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations