Geometry & MOs

Info

ID:	416477
PubChem CID:	135089492
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	371.16452
ΔH_f, kcal/mol:	-108.27
Dipole, Da:	2.64
IP(EA), eV:	-9.15(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(CC2=CC=CC=C2)C(=O)[C@@H]3CC[C@@H]([C@@H](C3)OC)O

DOS

IR

Vibrations