Geometry & MOs

Info

ID:	149529
PubChem CID:	53789202
Reduced:	OF3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	353.175771
ΔH_f, kcal/mol:	-141.97
Dipole, Da:	3.75
IP(EA), eV:	-9.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methylphenyl)-4-methoxy-4-(4-methoxyoxan-2-yl)piperidine

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C1=CC=C(C=C1)C(F)(F)F)C(N2C=NC=N2)O)N

DOS

IR

Vibrations