Geometry & MOs

Info

ID:	443277
PubChem CID:	135258367
Reduced:	NSO2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	313.150036
ΔH_f, kcal/mol:	-31.67
Dipole, Da:	2.7
IP(EA), eV:	-8.37(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CCN(CC2)S(=O)CC3=CC=CC=C3

DOS

IR

Vibrations