Geometry & MOs

Info

ID:	220716
PubChem CID:	85230689
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	218.143743
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	5.19
IP(EA), eV:	-10.13(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-ethyl-2-pentyloxane

Drug info:

PubChemData

Smile

CC1(C2C(CC1=O)C(=O)C3C2C=CC3=O)C

DOS

IR

Vibrations