Geometry & MOs

Info

ID:	336728
PubChem CID:	127255735
Reduced:	ClNOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	224.97893
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	4.59
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-7-bromo-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=CC(=C2Cl)N

DOS

IR

Vibrations