Geometry & MOs

Info

ID:	275595
PubChem CID:	103816722
Reduced:	BrN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	289.091435
ΔH_f, kcal/mol:	-25.68
Dipole, Da:	4.9
IP(EA), eV:	-9.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-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=CC(=CN=C3)Br)O

DOS

IR

Vibrations