Geometry & MOs

Info

ID:	124195
PubChem CID:	50874438
Reduced:	ON2Cl3H7C13 (1)
Stoich.:	AB2C3D7E13 (1)
Weight, g/mol:	354.176585
ΔH_f, kcal/mol:	11.93
Dipole, Da:	4.87
IP(EA), eV:	-8.84(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=NC3=C(O2)C(=CC(=C3)Cl)Cl)Cl)N

DOS

IR

Vibrations