Geometry & MOs

Info

ID:	283991
PubChem CID:	104024384
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-6.22
Dipole, Da:	0.75
IP(EA), eV:	-8.7(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methylhexan-1-amine

Drug info:

PubChemData

Smile

CC(CNC1CC1)CN2CCCOC3=CC=CC=C32

DOS

IR

Vibrations