Geometry & MOs

Info

ID:	418397
PubChem CID:	135104524
Reduced:	NF3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-253.22
Dipole, Da:	6.29
IP(EA), eV:	-9.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclopropylpyrrol-2-yl)-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)CC2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations