Geometry & MOs

Info

ID:	416299
PubChem CID:	135089312
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-26.56
Dipole, Da:	4.96
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(hydroxymethyl)phenyl]-1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)CCC(=O)N[C@@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations