Geometry & MOs

Info

ID:	298672
PubChem CID:	117653806
Reduced:	OH14C15 (2)
Stoich.:	AB14C15 (2)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	0.23
Dipole, Da:	4.76
IP(EA), eV:	-9.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2.CCC(=O)C1=CC=CC(=C1)C2=CC=CC=C2

DOS

IR

Vibrations