Geometry & MOs

Info

ID:	372645
PubChem CID:	131301522
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	306.92609
ΔH_f, kcal/mol:	-108.36
Dipole, Da:	2.0
IP(EA), eV:	-8.62(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-chloro-5-iodo-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)OCC2)C(C(=O)OC)N

DOS

IR

Vibrations