Geometry & MOs

Info

ID:	159211
PubChem CID:	57264398
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	59.56
Dipole, Da:	3.33
IP(EA), eV:	-8.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2,6-dimethyl-4H-1,3-dioxine

Drug info:

PubChemData

Smile

CCOC(CNC1=NC=CC(=C1)C2=NC(=NN2)NC)C3=CC=CC=C3

DOS

IR

Vibrations