Geometry & MOs

Info

ID:

170567

PubChem CID:

75253492

Reduced:

OF3N6H21C24 (1)

Stoich.:

AB3C6D21E24 (1)

Weight, g/mol:

538.270382

ΔHf, kcal/mol:

-52.03

Dipole, Da:

5.26

IP(EA), eV:

 -9.06(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 4-[1-[3-[6-[3-amino-4-(2-fluorophenyl)pyrrolidin-1-yl]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=CN3C2=NN=C3C4CC4)C(=O)NC(C)C5=CN=C(N=C5)C(F)(F)F

DOS

IR

Vibrations