Geometry & MOs

Info

ID:	372032
PubChem CID:	131287922
Reduced:	BrClNOC11H13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	286.98071
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	3.58
IP(EA), eV:	-8.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-iodo-4-methyl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC2=C(C(=C(C=C2)Cl)Br)C(C1)(CO)N

DOS

IR

Vibrations