Geometry & MOs

Info

ID:	418881
PubChem CID:	135107049
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-18.51
Dipole, Da:	4.49
IP(EA), eV:	-9.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxypyridin-4-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C=N1)CN2C[C@H]3CN([C@@H](C2)COC3)C(=O)C4=NOC=C4

DOS

IR

Vibrations