Geometry & MOs

Info

ID:	397312
PubChem CID:	135030026
Reduced:	ON2H28C44 (1)
Stoich.:	AB2C28D44 (1)
Weight, g/mol:	539.131998
ΔH_f, kcal/mol:	167.28
Dipole, Da:	8.06
IP(EA), eV:	-7.75(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dinaphthalen-1-yl-3,6-bis(trifluoromethyl)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=C2)C4=C5C=CC=CC5=C/C(=C/6\C=CC7=C(N6)C8=C(C=C7)C=CC(=N8)C9=CC=CC=C9)/C4=O

DOS

IR

Vibrations