Geometry & MOs

Info

ID:	431216
PubChem CID:	135171286
Reduced:	O2F3N5C19H24 (1)
Stoich.:	A2B3C5D19E24 (1)
Weight, g/mol:	387.134969
ΔH_f, kcal/mol:	-186.1
Dipole, Da:	4.56
IP(EA), eV:	-8.74(-0.36)
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-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)NCCC(F)(F)F

DOS

IR

Vibrations