Geometry & MOs

Info

ID:	173599
PubChem CID:	75659410
Reduced:	NO3C24H34 (1)
Stoich.:	AB3C24D34 (1)
Weight, g/mol:	414.244447
ΔH_f, kcal/mol:	-95.35
Dipole, Da:	2.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754369
Charge, e:	1

Chem-info

IUPAC name:

1'-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-fluorospiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(C[NH+]2CCC(CC2)(C3=CC=C(C=C3)OC)O)O

DOS

IR

Vibrations