Geometry & MOs

Info

ID:	199865
PubChem CID:	79310120
Reduced:	BrS2N4O4H9C10 (1)
Stoich.:	AB2C4D4E9F10 (1)
Weight, g/mol:	287.148556
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	4.83
IP(EA), eV:	-9.81(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-(2,4-difluorophenyl)piperidine

Drug info:

PubChemData

Smile

C1C(CN1S(=O)(=O)C2=C(C=CS2)Br)N3C=C(N=N3)C(=O)O

DOS

IR

Vibrations