Geometry & MOs

Info

ID:	430974
PubChem CID:	135171044
Reduced:	ClON2C19H25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	388.130218
ΔH_f, kcal/mol:	14.28
Dipole, Da:	1.88
IP(EA), eV:	-8.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[6-chloro-2-(hydroxymethyl)-5-methylpyrimidin-4-yl]piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

C/C(=C(/C)\Cl)/C(=C)N1CCC(CC1)OC2=CC(=C)C(=NC)C=C2

DOS

IR

Vibrations