Geometry & MOs

Info

ID:	395434
PubChem CID:	135025453
Reduced:	SiN4O9C11H14 (1)
Stoich.:	AB4C9D11E14 (1)
Weight, g/mol:	341.043041
ΔH_f, kcal/mol:	-253.8
Dipole, Da:	9.62
IP(EA), eV:	-9.85(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-ethyl-8-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-one

Drug info:

PubChemData

Smile

CO[Si](OC)(OC)OC(=O)/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations