Geometry & MOs

Info

ID:	42276
PubChem CID:	8149385
Reduced:	S2N3O3C20H23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	354.243304
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	4.23
IP(EA), eV:	-8.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-1-[(R)-(4-methylphenyl)-phenylmethoxy]-3-[(2R)-2-methylpiperidin-1-ium-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)[C@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

DOS

IR

Vibrations