Geometry & MOs

Info

ID:	155141
PubChem CID:	56320802
Reduced:	INO5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	429.02372
ΔH_f, kcal/mol:	-172.84
Dipole, Da:	3.82
IP(EA), eV:	-8.76(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-2-iodo-4,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)C(=O)OC)I)OC

DOS

IR

Vibrations