Geometry & MOs

Info

ID:	395381
PubChem CID:	135025338
Reduced:	PO5H25C26 (1)
Stoich.:	AB5C25D26 (1)
Weight, g/mol:	350.96617
ΔH_f, kcal/mol:	-157.5
Dipole, Da:	7.4
IP(EA), eV:	-9.28(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2-chloro-5-ethylbenzo[b][1,4]benzoxazepin-6-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\C(=O)OCC)/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/[O-]

DOS

IR

Vibrations