Geometry & MOs

Info

ID:	30318
PubChem CID:	841130
Reduced:	INO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	269.105193
ΔH_f, kcal/mol:	-25.42
Dipole, Da:	6.43
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-phenylethylideneamino) 4-methoxybenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C#N)I)OC(C)C

DOS

IR

Vibrations