Geometry & MOs

Info

ID:	157676
PubChem CID:	56436416
Reduced:	BrN2O5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	470.01388
ΔH_f, kcal/mol:	-92.71
Dipole, Da:	5.82
IP(EA), eV:	-8.93(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-4-fluoro-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC(C#N)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations