Geometry & MOs

Info

ID:	22211
PubChem CID:	596290
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-29.75
Dipole, Da:	6.35
IP(EA), eV:	-9.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)-1,3-oxazinane

Drug info:

PubChemData

Smile

C1CNC(OC1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations