Geometry & MOs

Info

ID:	374851
PubChem CID:	131349550
Reduced:	BrNOF3H7C10 (1)
Stoich.:	ABCD3E7F10 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	-168.65
Dipole, Da:	1.15
IP(EA), eV:	-10.12(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](C2=C(C1=O)C=C(C=C2C(F)(F)F)Br)N

DOS

IR

Vibrations