Geometry & MOs

Info

ID:	336670
PubChem CID:	127255677
Reduced:	BFNO2H13C18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	289.87649
ΔH_f, kcal/mol:	-119.6
Dipole, Da:	5.19
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dibromo-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

B(C1=CC2=C(C=C1F)N(C3=CC=CC=C32)C4=CC=CC=C4)(O)O

DOS

IR

Vibrations