Geometry & MOs

Info

ID:	275620
PubChem CID:	103816782
Reduced:	BrFNO2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-88.51
Dipole, Da:	2.69
IP(EA), eV:	-9.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations