Geometry & MOs

Info

ID:	293552
PubChem CID:	117392860
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-80.79
Dipole, Da:	4.79
IP(EA), eV:	-8.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1CCCN)Cl)OCCCO2

DOS

IR

Vibrations