Geometry & MOs

Info

ID:	306354
PubChem CID:	125003893
Reduced:	OF2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	468.277678
ΔH_f, kcal/mol:	-108.93
Dipole, Da:	3.46
IP(EA), eV:	-8.9(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzyloxan-4-yl)-[(3R)-3-[6-[(3-methylphenyl)methyl]pyridin-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(C[C@H](C1)C(=O)N)CC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations