Geometry & MOs

Info

ID:	248359
PubChem CID:	103080944
Reduced:	OF2N3C8H13 (1)
Stoich.:	AB2C3D8E13 (1)
Weight, g/mol:	365.04381
ΔH_f, kcal/mol:	-115.51
Dipole, Da:	2.52
IP(EA), eV:	-9.36(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine

Drug info:

PubChemData

Smile

C1=C(NC=N1)CNCCOCC(F)F

DOS

IR

Vibrations