Geometry & MOs

Info

ID:	24817
PubChem CID:	613818
Reduced:	ION3H12C19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	425.00251
ΔH_f, kcal/mol:	99.89
Dipole, Da:	6.37
IP(EA), eV:	-9.09(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-iodophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C3=C(C=C2)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)I)N=C1

DOS

IR

Vibrations