Geometry & MOs

Info

ID:	373834
PubChem CID:	131320493
Reduced:	INF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	296.96506
ΔH_f, kcal/mol:	-139.15
Dipole, Da:	2.89
IP(EA), eV:	-9.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-7-oxo-6,8-dihydro-5H-naphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C[C@@H]1N)C=C(C=C2I)C(F)(F)F

DOS

IR

Vibrations