Geometry & MOs

Info

ID:	417429
PubChem CID:	135093827
Reduced:	O2N7C17H19 (1)
Stoich.:	A2B7C17D19 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	43.06
Dipole, Da:	3.5
IP(EA), eV:	-9.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=CC=C3C4=NNN=N4

DOS

IR

Vibrations