Geometry & MOs

Info

ID:	322371
PubChem CID:	126669933
Reduced:	ClN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	269.02766
ΔH_f, kcal/mol:	-189.34
Dipole, Da:	3.51
IP(EA), eV:	-9.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-iodo-5,5-dimethylhexan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(OCC1CC2=CC=C(C=C2)Cl)C(=O)NC

DOS

IR

Vibrations