Geometry & MOs

Info

ID:	422195
PubChem CID:	135117379
Reduced:	ON4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	2.17
Dipole, Da:	4.26
IP(EA), eV:	-8.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-1'-(5-methoxypyrimidin-2-yl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations