Geometry & MOs

Info

ID:	274144
PubChem CID:	103807323
Reduced:	ClION2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	415.94247
ΔH_f, kcal/mol:	5.89
Dipole, Da:	4.29
IP(EA), eV:	-9.61(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1,3-benzodioxol-5-yl)-5-chloro-2-iodobenzamide

Drug info:

PubChemData

Smile

C1CC1C(CN)NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations