Geometry & MOs

Info

ID:	384073
PubChem CID:	134976297
Reduced:	NO2C24H37 (1)
Stoich.:	AB2C24D37 (1)
Weight, g/mol:	328.276616
ΔH_f, kcal/mol:	-68.27
Dipole, Da:	4.57
IP(EA), eV:	-9.76(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadec-11-ynoxymethylbenzene

Drug info:

PubChemData

Smile

C1CCOC(C1)OCCCCCCCCCCC#CCCC2=CN=CC=C2

DOS

IR

Vibrations