Geometry & MOs

Info

ID:	262415
PubChem CID:	103292402
Reduced:	ClSO2N3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-27.62
Dipole, Da:	4.01
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNC(=O)C2=CSC(=N2)N

DOS

IR

Vibrations