Geometry & MOs

Info

ID:	298917
PubChem CID:	117664336
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	413.165188
ΔH_f, kcal/mol:	-150.27
Dipole, Da:	6.02
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)O)/C=C/C2=C(C=CC=N2)OC)OC

DOS

IR

Vibrations