Geometry & MOs

Info

ID:	22748
PubChem CID:	598454
Reduced:	OSN2C11H18 (1)
Stoich.:	ABC2D11E18 (1)
Weight, g/mol:	226.113984
ΔH_f, kcal/mol:	-44.74
Dipole, Da:	6.16
IP(EA), eV:	-9.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-(3-methylbutyl)-2-methylsulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)SC)CCC(C)C

DOS

IR

Vibrations