Geometry & MOs

Info

ID:	408020
PubChem CID:	135080775
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	411.88211
ΔH_f, kcal/mol:	11.62
Dipole, Da:	1.85
IP(EA), eV:	-8.09(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-iodo-1-(3-iodoprop-2-ynoxy)ethyl]benzene

Drug info:

PubChemData

Smile

CC1CCN2C(C1)NCC3=CC=CC=C32

DOS

IR

Vibrations