Geometry & MOs

Info

ID:	275914
PubChem CID:	103819075
Reduced:	FNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	288.066555
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	3.76
IP(EA), eV:	-9.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations