Geometry & MOs

Info

ID:	275633
PubChem CID:	103816829
Reduced:	BrFNO2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	287.071306
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	2.63
IP(EA), eV:	-9.57(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations