Geometry & MOs

Info

ID:	275636
PubChem CID:	103816840
Reduced:	BrNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-47.0
Dipole, Da:	3.07
IP(EA), eV:	-9.45(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)Br)O

DOS

IR

Vibrations