Geometry & MOs

Info

ID:	241427
PubChem CID:	96023394
Reduced:	FOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-23.56
Dipole, Da:	4.44
IP(EA), eV:	-9.08(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-1-[(1R)-1-(3-methylphenyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)C3=CN=CS3

DOS

IR

Vibrations