Geometry & MOs

Info

ID:	133269
PubChem CID:	51501289
Reduced:	NO4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-107.14
Dipole, Da:	4.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755812
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2(CC[NH+](CC2)C[C@H](C3=CC4=C(C=C3)OCC4)O)O

DOS

IR

Vibrations