Geometry & MOs

Info

ID:	373508
PubChem CID:	131316261
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	287.97596
ΔH_f, kcal/mol:	-72.74
Dipole, Da:	7.45
IP(EA), eV:	-9.27(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1O)C#N)C(=O)C

DOS

IR

Vibrations