Geometry & MOs

Info

ID:	133272
PubChem CID:	51502203
Reduced:	ClNO4C23H29 (1)
Stoich.:	ABC4D23E29 (1)
Weight, g/mol:	417.170686
ΔH_f, kcal/mol:	-130.24
Dipole, Da:	4.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753141
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-chloro-1'-[(2S)-2-(4-ethoxyphenyl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@@H](C[NH+]2CCC3(CC2)C[C@H](C4=C(O3)C=CC(=C4)Cl)O)O

DOS

IR

Vibrations