Geometry & MOs

Info

ID:	396847
PubChem CID:	135029325
Reduced:	ClSeC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	10.88
Dipole, Da:	2.94
IP(EA), eV:	-8.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-methylsulfanyl-5,6-dihydro-4H-pyrimidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)[Se]C2=CC=CC=C2Cl)C

DOS

IR

Vibrations