Geometry & MOs

Info

ID:	315457
PubChem CID:	126626798
Reduced:	O2F9H27C29 (1)
Stoich.:	A2B9C27D29 (1)
Weight, g/mol:	473.292994
ΔH_f, kcal/mol:	-503.11
Dipole, Da:	6.57
IP(EA), eV:	-9.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-ethylbutoxy)-N-[4-(2-ethylbutoxy)phenyl]anilino]benzaldehyde

Drug info:

PubChemData

Smile

C1CC(CCC1CCF)C2=CC(=C(C=C2)C(OC3=CC=C(C=C3)C4=CC=C(C(C4)F)OC(C(F)F)(F)F)(F)F)F

DOS

IR

Vibrations