Geometry & MOs

Info

ID:	216357
PubChem CID:	85086091
Reduced:	O2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	258.183109
ΔH_f, kcal/mol:	-219.95
Dipole, Da:	3.7
IP(EA), eV:	-9.65(1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(hydroxymethyl)-5-methyloxan-2-yl]pentyl acetate

Drug info:

PubChemData

Smile

CCC(C1CCC(O1)C2CCC(O2)C(CC)O)O

DOS

IR

Vibrations