Geometry & MOs

Info

ID:	383997
PubChem CID:	134976140
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	458.318481
ΔH_f, kcal/mol:	-72.44
Dipole, Da:	3.37
IP(EA), eV:	-9.96(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-2-[18-(2-methoxyphenyl)octadeca-4,14-diynyl]benzene

Drug info:

PubChemData

Smile

CC#CCCC1(C=CC2(C=C1)OCCO2)O

DOS

IR

Vibrations