Geometry & MOs

Info

ID:	53558
PubChem CID:	14716635
Reduced:	FH3C5 (3)
Stoich.:	AB3C5 (3)
Weight, g/mol:	304.14633
ΔH_f, kcal/mol:	-95.49
Dipole, Da:	3.76
IP(EA), eV:	-8.86(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-prop-2-ynoxy-4-[2-(4-prop-2-ynoxyphenyl)propan-2-yl]benzene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(F)(F)F

DOS

IR

Vibrations