Geometry & MOs

Info

ID:	420884
PubChem CID:	135114987
Reduced:	N2O3C18H28 (1)
Stoich.:	A2B3C18D28 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-111.0
Dipole, Da:	3.78
IP(EA), eV:	-8.41(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-cyclohexyl-2-hydroxy-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=CC(=C(C=C3)OC)O)CO

DOS

IR

Vibrations