Geometry & MOs

Info

ID:	260153
PubChem CID:	103183342
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	-2.05
Dipole, Da:	4.51
IP(EA), eV:	-8.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3,5-dimethylpyridin-2-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CSC2=CC=C(C=C2)OC

DOS

IR

Vibrations