Geometry & MOs

Info

ID:	25732
PubChem CID:	629790
Reduced:	N2O3H16C22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	365.98652
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	3.84
IP(EA), eV:	-8.85(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=C4C(=C2)C5=CC=CC=C5N4)C(=O)N(C3=O)CCO

DOS

IR

Vibrations