Geometry & MOs

Info

ID:	82581
PubChem CID:	49856208
Reduced:	ClN2O4C6H12 (1)
Stoich.:	AB2C4D6E12 (1)
Weight, g/mol:	244.014162
ΔH_f, kcal/mol:	-23.31
Dipole, Da:	9.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763568
Charge, e:	-3

Chem-info

IUPAC name:

2-(chloromethyl)oxirane;prop-2-en-1-amine;phosphate

Drug info:

PubChemData

Smile

C=CCN.C1C(O1)CCl.[N+](=O)([O-])[O-]

DOS

IR

Vibrations