Geometry & MOs

Info

ID:	59197
PubChem CID:	24775716
Reduced:	ON3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	73.27
Dipole, Da:	6.43
IP(EA), eV:	-9.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(2R)-pyrrolidin-2-yl]-1,2-oxazol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CC(NC1)C2=NOC(=C2)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations