Geometry & MOs

Info

ID:	373300
PubChem CID:	131312909
Reduced:	ION2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	287.97596
ΔH_f, kcal/mol:	20.41
Dipole, Da:	5.84
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-3-iodo-5-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CC#N)I)N

DOS

IR

Vibrations