Geometry & MOs

Info

ID:	228470
PubChem CID:	87564689
Reduced:	O2N5F8H19C26 (1)
Stoich.:	A2B5C8D19E26 (1)
Weight, g/mol:	323.99613
ΔH_f, kcal/mol:	-300.79
Dipole, Da:	6.52
IP(EA), eV:	-8.85(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-(bromomethylidene)-3,8-difluoro-6,11-dihydro-2H-benzo[c][1]benzoxepine

Drug info:

PubChemData

Smile

C1C2=NC(=NC2=CNN1CC3=CC(=NO3)C4=C(C=C(C=C4)OCCCC(F)(F)F)C(F)(F)F)C5=C(C(=CC=C5)F)F

DOS

IR

Vibrations