Geometry & MOs

Info

ID:	374850
PubChem CID:	131349522
Reduced:	BrN2H9C13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	292.96631
ΔH_f, kcal/mol:	76.78
Dipole, Da:	5.61
IP(EA), eV:	-9.56(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-6-bromo-4-(trifluoromethyl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Br)C2=CC=C(C=C2)CC#N

DOS

IR

Vibrations