Geometry & MOs

Info

ID:	443311
PubChem CID:	135258526
Reduced:	N2Cl3O5H25C31 (1)
Stoich.:	A2B3C5D25E31 (1)
Weight, g/mol:	427.92464
ΔH_f, kcal/mol:	-51.11
Dipole, Da:	4.69
IP(EA), eV:	-9.36(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-diiodo-3-methyl-N-phenylbutanimidamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)C2=NOC(C2)(C)C3=C(C=C(C=C3)OCC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6)Cl

DOS

IR

Vibrations