Geometry & MOs

Info

ID:	46784
PubChem CID:	10527287
Reduced:	C11H16 (3)
Stoich.:	A11B16 (3)
Weight, g/mol:	445.188923
ΔH_f, kcal/mol:	21.9
Dipole, Da:	0.17
IP(EA), eV:	-8.99(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxycarbonyl-1-(ethoxymethyl)-6-methyl-2-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C34CC(C3)(C4)CCCCCCCC

DOS

IR

Vibrations