Geometry & MOs

Info

ID:	275593
PubChem CID:	103816713
Reduced:	NCl2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	285.116507
ΔH_f, kcal/mol:	-54.97
Dipole, Da:	5.05
IP(EA), eV:	-9.55(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations