Geometry & MOs

Info

ID:	133280
PubChem CID:	51503642
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	400.212398
ΔH_f, kcal/mol:	-176.79
Dipole, Da:	5.71
IP(EA), eV:	-8.24(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4S)-1'-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](CN2CCC3(CC2)C[C@H](C4=C(O3)C=CC(=C4)OC)O)O

DOS

IR

Vibrations