Geometry & MOs

Info

ID:	399297
PubChem CID:	135039482
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	321.94908
ΔH_f, kcal/mol:	36.61
Dipole, Da:	5.02
IP(EA), eV:	-9.57(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodobenzo[h]chromen-4-one

Drug info:

PubChemData

Smile

C1CC1C(C=O)(C=O)N=NC2=CC=CC=C2

DOS

IR

Vibrations