Geometry & MOs

Info

ID:	417350
PubChem CID:	135092521
Reduced:	N2O3C18H32 (1)
Stoich.:	A2B3C18D32 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-165.18
Dipole, Da:	5.34
IP(EA), eV:	-8.78(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-1'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3CCN(CC3)CCO

DOS

IR

Vibrations