Geometry & MOs

Info

ID:	391332
PubChem CID:	135004365
Reduced:	NC17H21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	227.034732
ΔH_f, kcal/mol:	39.36
Dipole, Da:	1.08
IP(EA), eV:	-8.96(0.33)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

trifluoro-[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]boranuide

Drug info:

PubChemData

Smile

C[C@@]12CCC(=C)[C@@H]1[C@H](C=C2)NCC3=CC=CC=C3

DOS

IR

Vibrations