Geometry & MOs

Info

ID:	155190
PubChem CID:	56322577
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	444.99417
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	5.26
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-iodo-4,5-dimethoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)NC4CCN(CC4)CCC5=CC=NC=C5

DOS

IR

Vibrations