Geometry & MOs

Info

ID:	395318
PubChem CID:	135025192
Reduced:	YO2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	418.95355
ΔH_f, kcal/mol:	-85.34
Dipole, Da:	5.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757985
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C-](C)CC(=O)C[C-]=O.[Y]

DOS

IR

Vibrations