Geometry & MOs

Info

ID:	406790
PubChem CID:	135078617
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	268.107752
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	2.41
IP(EA), eV:	-10.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-chloro-5,5-diethoxy-3-hydroxyhexanoate

Drug info:

PubChemData

Smile

CC(C1CCCC1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations