Geometry & MOs

Info

ID:	19411
PubChem CID:	563182
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	22.04
Dipole, Da:	1.3
IP(EA), eV:	-9.35(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-5-ynoxymethylbenzene

Drug info:

PubChemData

Smile

C#CCCCCOCC1=CC=CC=C1

DOS

IR

Vibrations