Geometry & MOs

Info

ID:	15550
PubChem CID:	443997
Reduced:	ClINC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	335.02619
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	5.02
IP(EA), eV:	-9.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-(123I)iodanylphenyl)-N-propan-2-ylpropan-2-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)NC(C)CC1=CC=C(C=C1)[123I].Cl

DOS

IR

Vibrations