Geometry & MOs

Info

ID:	73601
PubChem CID:	48418649
Reduced:	ClO2N5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	319.108754
ΔH_f, kcal/mol:	0.0
Dipole, Da:	3.75
IP(EA), eV:	-9.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NNC(=O)CCC2=C(ON=C2C)Cl)C

DOS

IR

Vibrations