Geometry & MOs

Info

ID:	306665
PubChem CID:	125165226
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-13.96
Dipole, Da:	2.86
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenoxypyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@@H](CNC(=O)CN2N=C3C=CC=CC3=N2)N4CCOCC4

DOS

IR

Vibrations