Geometry & MOs

Info

ID:	379829
PubChem CID:	134465007
Reduced:	F3C26H27 (1)
Stoich.:	A3B26C27 (1)
Weight, g/mol:	418.1875
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	3.99
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-7-ethoxy-1,8-difluoro-3-(4-pentylcyclohexyl)biphenylene

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC3=C4C=CC(=C(C4=C3C(=C2F)F)F)C#CC

DOS

IR

Vibrations