Geometry & MOs

Info

ID:	283999
PubChem CID:	104024993
Reduced:	BrNS2O3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	346.06808
ΔH_f, kcal/mol:	-51.66
Dipole, Da:	5.83
IP(EA), eV:	-8.83(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethyl]aniline

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)S(=O)(=O)C3=C(C=CS3)Br

DOS

IR

Vibrations