Geometry & MOs

Info

ID:	281229
PubChem CID:	103911539
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	2.01
IP(EA), eV:	-9.24(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](CNC(C1=CC=CC=C1Cl)C(C)C)O

DOS

IR

Vibrations