Geometry & MOs

Info

ID:	285429
PubChem CID:	104104350
Reduced:	SN2O4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	285.076786
ΔH_f, kcal/mol:	-33.19
Dipole, Da:	4.36
IP(EA), eV:	-8.99(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4,5-dimethoxyphenyl)-(oxazinan-2-yl)methanone

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1)C(=O)N2CCCCO2)[N+](=O)[O-]

DOS

IR

Vibrations