Geometry & MOs

Info

ID:	374259
PubChem CID:	131325908
Reduced:	NBr2F3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	281.04153
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	3.17
IP(EA), eV:	-8.26(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)[C@H](CC(F)(F)F)N)Br

DOS

IR

Vibrations