Geometry & MOs

Info

ID:	431280
PubChem CID:	135171351
Reduced:	ClON4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	391.129884
ΔH_f, kcal/mol:	22.47
Dipole, Da:	5.28
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1Cl)N2CCC(CC2)OC3=CN=CC=C3

DOS

IR

Vibrations