Geometry & MOs

Info

ID:	400029
PubChem CID:	135044641
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	206.143743
ΔH_f, kcal/mol:	-11.19
Dipole, Da:	0.48
IP(EA), eV:	-8.52(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-5-pentan-3-yloxyhexane

Drug info:

PubChemData

Smile

CCCCC1=CC(=NC2=C1C3=CC=CC=C3C2)OC

DOS

IR

Vibrations