Geometry & MOs

Info

ID:	225462
PubChem CID:	85786998
Reduced:	O3C10H12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	320.214016
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	2.85
IP(EA), eV:	-9.57(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexoxy-4-[2-(4-propylphenyl)ethynyl]benzene

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)OOC(=O)C

DOS

IR

Vibrations