Geometry & MOs

Info

ID:	133277
PubChem CID:	51503253
Reduced:	N2O3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	406.201833
ΔH_f, kcal/mol:	-72.66
Dipole, Da:	6.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.121777
Charge, e:	1

Chem-info

IUPAC name:

(4S)-1'-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]spiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4,6-diol

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CCOC)C[NH+]3CCC(CC3)(C4=CC=CC=C4OC)O

DOS

IR

Vibrations