Geometry & MOs

Info

ID:	384074
PubChem CID:	134976298
Reduced:	OC23H36 (1)
Stoich.:	AB23C36 (1)
Weight, g/mol:	384.339216
ΔH_f, kcal/mol:	-44.89
Dipole, Da:	1.83
IP(EA), eV:	-9.31(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

icos-13-ynoxymethylbenzene

Drug info:

PubChemData

Smile

CCCCC#CCCCCCCCCCCOCC1=CC=CC=C1

DOS

IR

Vibrations