Geometry & MOs

Info

ID:	280319
PubChem CID:	103848370
Reduced:	NCl2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	286.072035
ΔH_f, kcal/mol:	-85.98
Dipole, Da:	2.87
IP(EA), eV:	-9.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-chloro-5-nitrophenyl)methylamino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNCC2=CC(=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations