Geometry & MOs

Info

ID:	431333
PubChem CID:	135171408
Reduced:	O3N5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	403.129884
ΔH_f, kcal/mol:	-25.92
Dipole, Da:	4.07
IP(EA), eV:	-8.78(-0.86)
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-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)N[C@H]4CCC5=CC=CC=C45

DOS

IR

Vibrations