Geometry & MOs

Info

ID:	269289
PubChem CID:	103616754
Reduced:	OCl2N5C11H11 (1)
Stoich.:	AB2C5D11E11 (1)
Weight, g/mol:	414.9836
ΔH_f, kcal/mol:	23.6
Dipole, Da:	5.73
IP(EA), eV:	-10.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)C2=CC(=NC(=C2)Cl)Cl

DOS

IR

Vibrations