Geometry & MOs

Info

ID:	373828
PubChem CID:	131320422
Reduced:	BrOF3H3N3C7 (1)
Stoich.:	ABC3D3E3F7 (1)
Weight, g/mol:	238.99458
ΔH_f, kcal/mol:	-132.98
Dipole, Da:	3.95
IP(EA), eV:	-9.66(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-7-bromo-3,4-dihydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)N)C#N)OC(F)(F)F)Br

DOS

IR

Vibrations