Geometry & MOs

Info

ID:	304165
PubChem CID:	124497823
Reduced:	SN2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	46.4
Dipole, Da:	2.47
IP(EA), eV:	-8.36(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(2-methylsulfanylpyridin-3-yl)piperidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CSC1=C(C=CC=N1)[C@@H]2CCCCN2CC3=CC=CC=C3

DOS

IR

Vibrations