Geometry & MOs

Info

ID:	330109
PubChem CID:	127247096
Reduced:	ON4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	294.088353
ΔH_f, kcal/mol:	49.3
Dipole, Da:	2.47
IP(EA), eV:	-9.47(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations