Geometry & MOs

Info

ID:	320298
PubChem CID:	126659376
Reduced:	OI2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	514.98182
ΔH_f, kcal/mol:	7.82
Dipole, Da:	2.49
IP(EA), eV:	-9.34(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-bis(iodomethyl)phenyl]-2-[(2-hydroxyethylamino)methyl]pentan-1-one

Drug info:

PubChemData

Smile

CCCC(=C)C(=O)C1=CC(=C(C=C1)CI)CI

DOS

IR

Vibrations