Geometry & MOs

Info

ID:	372144
PubChem CID:	131293782
Reduced:	BrNOF2H6C9 (1)
Stoich.:	ABCD2E6F9 (1)
Weight, g/mol:	238.99458
ΔH_f, kcal/mol:	-98.75
Dipole, Da:	3.92
IP(EA), eV:	-10.11(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-bromo-4-methyl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1C(C2=CC(=C(C(=C2C1=O)F)Br)F)N

DOS

IR

Vibrations