Geometry & MOs

Info

ID:	420290
PubChem CID:	135112269
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-109.52
Dipole, Da:	4.7
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)pyridin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=NC=C(C=C3)O

DOS

IR

Vibrations