Geometry & MOs

Info

ID:	227035
PubChem CID:	87559835
Reduced:	OC5H10 (3)
Stoich.:	AB5C10 (3)
Weight, g/mol:	222.001847
ΔH_f, kcal/mol:	-198.38
Dipole, Da:	5.92
IP(EA), eV:	-10.46(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-phenylsulfanylpyrimidine

Drug info:

PubChemData

Smile

CCCCC(CCCCCCCCCO)C(=O)O

DOS

IR

Vibrations