Geometry & MOs

Info

ID:	379834
PubChem CID:	134465018
Reduced:	O2F3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	404.196315
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	4.29
IP(EA), eV:	-8.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)-5-pentyloxane

Drug info:

PubChemData

Smile

CCOC1=C(C2=C3C(=C2C=C1)C=C(C(=C3F)F)C4CCC(OC4)C=C)F

DOS

IR

Vibrations