Geometry & MOs

Info

ID:	372282
PubChem CID:	131295472
Reduced:	ON2F3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	290.97563
ΔH_f, kcal/mol:	-155.94
Dipole, Da:	3.68
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-iodo-5-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1N)C(F)(F)F)O)CC#N

DOS

IR

Vibrations