Geometry & MOs

Info

ID:	84774
PubChem CID:	49869799
Reduced:	OF2N6H18C22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	486.095118
ΔH_f, kcal/mol:	0.84
Dipole, Da:	11.04
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[5-[3-cyano-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-4-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)C(=O)NC4=CC=CC=N4)C5=C(C=CC(=C5)F)F

DOS

IR

Vibrations