Geometry & MOs

Info

ID:	69772
PubChem CID:	47205360
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-9.89
Dipole, Da:	5.59
IP(EA), eV:	-8.77(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-pyridin-3-yl-1,2-oxazol-3-yl)-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CNC=C2C3=CC=CC=C3

DOS

IR

Vibrations