Geometry & MOs

Info

ID:	371660
PubChem CID:	131270186
Reduced:	NC15H17 (1)
Stoich.:	AB15C17 (1)
Weight, g/mol:	430.92431
ΔH_f, kcal/mol:	47.76
Dipole, Da:	1.22
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-amino-3-methylbutyl]-2,6-diiodophenol

Drug info:

PubChemData

Smile

CC(=C)C[C@H](C1=CC=CC2=CC=CC=C21)N

DOS

IR

Vibrations