Geometry & MOs

Info

ID:	216237
PubChem CID:	85085932
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	244.167459
ΔH_f, kcal/mol:	-56.48
Dipole, Da:	1.18
IP(EA), eV:	-9.76(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-hexyl-2-methyl-1,3-dioxan-4-yl) acetate

Drug info:

PubChemData

Smile

C1CC2(C1)C(=O)NC(C(=O)N2)CC3=CC=CC=C3

DOS

IR

Vibrations