Geometry & MOs

Info

ID:	137028
PubChem CID:	52141646
Reduced:	OSC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	2.35
IP(EA), eV:	-8.67(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methoxyethylsulfanylmethyl)-2-propan-2-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCCOC

DOS

IR

Vibrations