Geometry & MOs

Info

ID:	443276
PubChem CID:	135258366
Reduced:	BrO3N5C10H12 (1)
Stoich.:	AB3C5D10E12 (1)
Weight, g/mol:	329.14495
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	2.47
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfinyl-4-(2-methoxyphenyl)piperidine

Drug info:

PubChemData

Smile

C1[C@@H](CO[C@H]([C@@H]1O)N2C3=NC=NC(=C3N=C2Br)N)O

DOS

IR

Vibrations