Geometry & MOs

Info

ID:	57789
PubChem CID:	24277361
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-43.29
Dipole, Da:	5.28
IP(EA), eV:	-9.47(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC(=NC(=N2)C)C(=O)O)C

DOS

IR

Vibrations