Geometry & MOs

Info

ID:	374078
PubChem CID:	131323458
Reduced:	ON4C6H6 (1)
Stoich.:	AB4C6D6 (1)
Weight, g/mol:	290.97563
ΔH_f, kcal/mol:	28.5
Dipole, Da:	10.14
IP(EA), eV:	-10.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-2-iodo-6-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1=NC(=O)C(=C(N1)CN)C#N

DOS

IR

Vibrations