Geometry & MOs

Info

ID:	374856
PubChem CID:	131349558
Reduced:	BrN2O3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	306.92609
ΔH_f, kcal/mol:	-9.05
Dipole, Da:	1.73
IP(EA), eV:	-10.19(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-6-chloro-4-iodo-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1[C@H](C2=C(C1=O)C=C(C=C2[N+](=O)[O-])Br)N

DOS

IR

Vibrations