Geometry & MOs

Info

ID:	49199
PubChem CID:	11528903
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	248.044191
ΔH_f, kcal/mol:	-100.6
Dipole, Da:	1.47
IP(EA), eV:	-8.74(1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-methylsulfanylpyrimidine-2-thione

Drug info:

PubChemData

Smile

CC1=C[C@H]2C(=C(CC3(C2(C)C)OCCO3)C)CC1

DOS

IR

Vibrations