Geometry & MOs

Info

ID:	420944
PubChem CID:	135115076
Reduced:	O2N6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-44.0
Dipole, Da:	11.49
IP(EA), eV:	-9.45(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C(=O)N2CCCN(CC2)CC3=CC(=O)N=C(N3)C)C

DOS

IR

Vibrations