Geometry & MOs

Info

ID:	66027
PubChem CID:	46488162
Reduced:	ClO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	486.00765
ΔH_f, kcal/mol:	-43.91
Dipole, Da:	4.39
IP(EA), eV:	-9.34(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)(C)C)C)C(=O)NNC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations