Geometry & MOs

Info

ID:	293542
PubChem CID:	117392691
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-75.58
Dipole, Da:	2.61
IP(EA), eV:	-8.73(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Cl)OC)CC2CCCN2

DOS

IR

Vibrations