Geometry & MOs

Info

ID:	28534
PubChem CID:	828154
Reduced:	BrN3H14C17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	326.070972
ΔH_f, kcal/mol:	118.6
Dipole, Da:	2.23
IP(EA), eV:	-8.79(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-2-[(1S)-3-oxo-1-phenylbutyl]indene-1,3-dione

Drug info:

PubChemData

Smile

C=CCN1C2=CC=CC=C2N=C1N=CC3=CC=C(C=C3)Br

DOS

IR

Vibrations