Geometry & MOs

Info

ID:	50089
PubChem CID:	12012592
Reduced:	FH13C22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	376.1075
ΔH_f, kcal/mol:	127.21
Dipole, Da:	2.17
IP(EA), eV:	-8.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[2-[4-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC(=CC=C3)F

DOS

IR

Vibrations