Geometry & MOs

Info

ID:	57784
PubChem CID:	24277344
Reduced:	SO3N4C8H10 (1)
Stoich.:	AB3C4D8E10 (1)
Weight, g/mol:	281.996283
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	4.67
IP(EA), eV:	-9.75(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN2C(=NN=C2SC1C(=O)O)COC

DOS

IR

Vibrations