Geometry & MOs

Info

ID:	181589
PubChem CID:	76764219
Reduced:	N3O3H11C15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	166.018542
ΔH_f, kcal/mol:	9.47
Dipole, Da:	5.29
IP(EA), eV:	-8.89(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-chloro-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1[C@H]2C(=O)NC3=C(N2C4=CC=CC=C41)C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations