Geometry & MOs

Info

ID:	224551
PubChem CID:	85344726
Reduced:	O4C11H20 (1)
Stoich.:	A4B11C20 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-217.41
Dipole, Da:	1.6
IP(EA), eV:	-10.01(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-methyl-1,3-dioxan-4-yl)pentanoate

Drug info:

PubChemData

Smile

CC1C(OC(O1)(C)C)CCCOC(=O)C

DOS

IR

Vibrations