Geometry & MOs

Info

ID:	328325
PubChem CID:	126700719
Reduced:	O3N8H22C23 (1)
Stoich.:	A3B8C22D23 (1)
Weight, g/mol:	274.0117
ΔH_f, kcal/mol:	31.86
Dipole, Da:	6.42
IP(EA), eV:	-8.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-7-fluoro-N-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-6-amine

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N)N1C=C(C=N1)C2=CC3=C4C(=C2)OCCCN4C(=N3)C5=NC6=C(C=C5)OC(=N6)N

DOS

IR

Vibrations