Geometry & MOs

Info

ID:	226693
PubChem CID:	87556913
Reduced:	NO2C21H45 (1)
Stoich.:	AB2C21D45 (1)
Weight, g/mol:	562.03419
ΔH_f, kcal/mol:	-199.21
Dipole, Da:	1.24
IP(EA), eV:	-9.61(2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-amino-3-iodo-4-methyl-5-propylphenyl)methyl]-2-iodo-3-methyl-4-propylaniline

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(CC(O)O)N

DOS

IR

Vibrations