Geometry & MOs

Info

ID:	420494
PubChem CID:	135113439
Reduced:	ClN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-97.92
Dipole, Da:	4.28
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-6-methoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC(C)OC1=C(C=C(C=C1Cl)CN(CCO)CC2=NC=CN2)OC

DOS

IR

Vibrations