Geometry & MOs

Info

ID:	393117
PubChem CID:	135019455
Reduced:	NO2F4H9C11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	641.21084
ΔH_f, kcal/mol:	-255.4
Dipole, Da:	3.21
IP(EA), eV:	-10.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

4-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)pyridine-2,6-dicarboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C1(C(C(F)F)(F)F)O

DOS

IR

Vibrations