Geometry & MOs

Info

ID:	375204
PubChem CID:	131472844
Reduced:	INO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	1.22
IP(EA), eV:	-8.37(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7-bromo-5-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC2=C(C(=C1)I)OC[C@H]2N

DOS

IR

Vibrations