Geometry & MOs

Info

ID:	209569
PubChem CID:	80688309
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-65.01
Dipole, Da:	3.94
IP(EA), eV:	-9.5(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylpropylsulfonyl)piperidine-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)C1(CN(C1)S(=O)(=O)CCC2=CC=CC=C2)N

DOS

IR

Vibrations