Geometry & MOs

Info

ID:	416092
PubChem CID:	135089100
Reduced:	ON7C19H25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	309.174022
ΔH_f, kcal/mol:	26.17
Dipole, Da:	3.74
IP(EA), eV:	-8.95(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-6-methylphenyl)-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C(=NN2)C(=O)N3CCCC4(C3)CCC5=CN=C(N=C45)N

DOS

IR

Vibrations