Geometry & MOs

Info

ID:	126182
PubChem CID:	50954794
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	316.164774
ΔH_f, kcal/mol:	-20.52
Dipole, Da:	3.35
IP(EA), eV:	-8.89(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]methyl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCC2(C1)CCN(CC2)C(=O)CN(C)CC3=CN=CC=C3

DOS

IR

Vibrations