Geometry & MOs

Info

ID:	339610
PubChem CID:	127261600
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	2.03
IP(EA), eV:	-9.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-2-phenyl-1,3-dioxan-5-yl) hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OCC1=CC=CC=C1[N+]#[C-]

DOS

IR

Vibrations