Geometry & MOs

Info

ID:	45856
PubChem CID:	10518261
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-20.74
Dipole, Da:	2.23
IP(EA), eV:	-8.32(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-3,3-dimethoxypiperidine

Drug info:

PubChemData

Smile

COC(=O)N(CCN(C1=CC=CC=C1)N)CC2=CC=CC=C2

DOS

IR

Vibrations