Geometry & MOs

Info

ID:	421491
PubChem CID:	135116114
Reduced:	NO2C23H29 (1)
Stoich.:	AB2C23D29 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-56.08
Dipole, Da:	2.04
IP(EA), eV:	-8.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(hydroxymethyl)phenyl]-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CC3=CC(=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations