Geometry & MOs

Info

ID:	373509
PubChem CID:	131316291
Reduced:	ION2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	306.97054
ΔH_f, kcal/mol:	28.69
Dipole, Da:	6.7
IP(EA), eV:	-8.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-2-iodo-4-methoxyphenyl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1N)I)CC#N

DOS

IR

Vibrations