Geometry & MOs

Info

ID:	178773
PubChem CID:	76380196
Reduced:	O7C25H34 (1)
Stoich.:	A7B25C34 (1)
Weight, g/mol:	241.058637
ΔH_f, kcal/mol:	-262.75
Dipole, Da:	7.61
IP(EA), eV:	-9.24(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dihydroxymethylidene)-2,6-dimethyl-3H-pyridine-3,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1CCC2C1(CC(=O)C3C2CCC4=CC(=O)C(CC34C)OCOC)C

DOS

IR

Vibrations