Geometry & MOs

Info

ID:	57788
PubChem CID:	24277359
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-71.86
Dipole, Da:	4.52
IP(EA), eV:	-9.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=CC(=NC(=N2)C)C(=O)O

DOS

IR

Vibrations