Geometry & MOs

Info

ID:	296964
PubChem CID:	117603152
Reduced:	FN2O2H19C22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	490.177168
ΔH_f, kcal/mol:	-46.66
Dipole, Da:	5.24
IP(EA), eV:	-9.74(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-[5-chloro-2-(piperidine-3-carbonylamino)pyridin-4-yl]-2,3-dihydro-1H-indol-3-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)C2(CCC(=CC2)C3=CC4=NC=CN=C4C=C3)C(=O)O

DOS

IR

Vibrations