Geometry & MOs

Info

ID:	133278
PubChem CID:	51503459
Reduced:	NO4C25H28 (1)
Stoich.:	AB4C25D28 (1)
Weight, g/mol:	406.225643
ΔH_f, kcal/mol:	-99.2
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.084804
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1'-[(2S)-2-hydroxy-2-(6-methyl-1H-indol-3-yl)ethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

Drug info:

PubChemData

Smile

C1C[NH+](CCC12C[C@@H](C3=C(O2)C=CC(=C3)O)O)C[C@H](C4=CC5=CC=CC=C5C=C4)O

DOS

IR

Vibrations