Geometry & MOs

Info

ID:	421679
PubChem CID:	135116415
Reduced:	SN4O5C15H22 (1)
Stoich.:	AB4C5D15E22 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-170.63
Dipole, Da:	8.71
IP(EA), eV:	-9.49(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-1'-(2-methylpyrimidin-4-yl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1CN(C[C@@H]1O)C(=O)C2=CN=C(NC2=O)C3CC3

DOS

IR

Vibrations