Geometry & MOs

Info

ID:	336727
PubChem CID:	127255734
Reduced:	ClNOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	181.029442
ΔH_f, kcal/mol:	-31.26
Dipole, Da:	6.72
IP(EA), eV:	-9.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-chloro-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations