Geometry & MOs

Info

ID:	336729
PubChem CID:	127255736
Reduced:	BrNOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	272.96506
ΔH_f, kcal/mol:	-18.59
Dipole, Da:	6.7
IP(EA), eV:	-9.07(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-iodo-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=C(C=C2Br)N

DOS

IR

Vibrations