Geometry & MOs

Info

ID:	260494
PubChem CID:	103193760
Reduced:	BrOF3N3H11C12 (1)
Stoich.:	ABC3D3E11F12 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-139.81
Dipole, Da:	5.52
IP(EA), eV:	-9.42(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminophenyl)spiro[3.4]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)OC(F)(F)F)N2C=NC=C2CCN

DOS

IR

Vibrations