Geometry & MOs

Info

ID:	133270
PubChem CID:	51501308
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	423.228382
ΔH_f, kcal/mol:	-138.91
Dipole, Da:	3.57
IP(EA), eV:	-8.54(0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4,6-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCN(CC2)C[C@@H](C3=CC4=C(C=C3)OCCO4)O)O

DOS

IR

Vibrations