Geometry & MOs

Info

ID:	306138
PubChem CID:	125001722
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	318.144038
ΔH_f, kcal/mol:	-50.03
Dipole, Da:	3.92
IP(EA), eV:	-9.0(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

C1CN(C[C@@]1(CNC(=O)C2=CC(=CC=C2)OCCCN)O)C3=C4C=NC=CC4=NC=C3

DOS

IR

Vibrations