Geometry & MOs

Info

ID:	283990
PubChem CID:	104024382
Reduced:	BrNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	3.22
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-2-methylpropyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)Br)N2CCCOC3=CC=CC=C32

DOS

IR

Vibrations