Geometry & MOs

Info

ID:	418337
PubChem CID:	135104222
Reduced:	SO2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	6.8
Dipole, Da:	7.68
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-2-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C1=CN2C=CSC2=N1)NC3=NC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations