Geometry & MOs

Info

ID:	171652
PubChem CID:	75410373
Reduced:	F3N3O3C25H28 (1)
Stoich.:	A3B3C3D25E28 (1)
Weight, g/mol:	361.191403
ΔH_f, kcal/mol:	-229.73
Dipole, Da:	6.37
IP(EA), eV:	-8.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3R,4S)-3-fluoro-4-(1H-imidazo[4,5-b]pyridin-2-ylmethoxy)pyrrolidin-1-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCC(CC1)N2C[C@@H]3C[C@H]2C(=O)N(C4=CC=CC=C4O3)CC5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations