Geometry & MOs

Info

ID:	425156
PubChem CID:	135125347
Reduced:	N2O5C27H30 (1)
Stoich.:	A2B5C27D30 (1)
Weight, g/mol:	508.199822
ΔH_f, kcal/mol:	-170.25
Dipole, Da:	5.73
IP(EA), eV:	-8.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[(1R)-5-cyano-4-[6-[(3R)-oxolan-3-yl]oxypyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)OCC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)OC

DOS

IR

Vibrations