Geometry & MOs

Info

ID:	148986
PubChem CID:	53788657
Reduced:	O6C21H38 (1)
Stoich.:	A6B21C38 (1)
Weight, g/mol:	448.91374
ΔH_f, kcal/mol:	-330.85
Dipole, Da:	5.45
IP(EA), eV:	-10.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-iodo-3-(2-iodophenyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)O)C(=O)O

DOS

IR

Vibrations