Geometry & MOs

Info

ID:	160499
PubChem CID:	57309847
Reduced:	PCl2O2C5H8 (1)
Stoich.:	AB2C2D5E8 (1)
Weight, g/mol:	141.053826
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	4.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757029
Charge, e:	0

Chem-info

IUPAC name:

2-(azidomethyl)-2,3-dihydro-1,4-dioxine

Drug info:

PubChemData

Smile

CC(=C)C(=O)O[P+](C)(Cl)Cl

DOS

IR

Vibrations