Geometry & MOs

Info

ID:	395319
PubChem CID:	135025193
Reduced:	BrClNO2F3H10C16 (1)
Stoich.:	ABCD2E3F10G16 (1)
Weight, g/mol:	359.033619
ΔH_f, kcal/mol:	-184.4
Dipole, Da:	3.77
IP(EA), eV:	-9.38(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-ethyl-7-fluoro-9-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)Cl)OC3=C(C1=O)C(=CC(=C3)C(F)(F)F)Br

DOS

IR

Vibrations