Geometry & MOs

Info

ID:	30153
PubChem CID:	840334
Reduced:	ClNSH6C11 (1)
Stoich.:	ABCD6E11 (1)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	62.05
Dipole, Da:	2.35
IP(EA), eV:	-8.66(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-methyl-5-phenoxypyrimidine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3=C2C(=C1)C(=S)N3)Cl

DOS

IR

Vibrations