Geometry & MOs

Info

ID:	201221
PubChem CID:	79508565
Reduced:	N2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	2.11
IP(EA), eV:	-8.64(1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

Drug info:

PubChemData

Smile

CC(C)(C)CNC1=NCCCCC1

DOS

IR

Vibrations