Geometry & MOs

Info

ID:	336724
PubChem CID:	127255731
Reduced:	FNOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	181.029442
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	4.75
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=CC(=C2F)N

DOS

IR

Vibrations