Geometry & MOs

Info

ID:	283987
PubChem CID:	104024181
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-20.08
Dipole, Da:	1.4
IP(EA), eV:	-8.33(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-(2-methylpropyl)butan-1-amine

Drug info:

PubChemData

Smile

CNCC1=CC=C(O1)CN2CCCOC3=CC=CC=C32

DOS

IR

Vibrations