Geometry & MOs

Info

ID:	275623
PubChem CID:	103816789
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	288.066555
ΔH_f, kcal/mol:	-27.44
Dipole, Da:	1.23
IP(EA), eV:	-9.37(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)O)N3C=CC=N3

DOS

IR

Vibrations