Geometry & MOs

Info

ID:	330122
PubChem CID:	127247109
Reduced:	FO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	2.95
IP(EA), eV:	-9.0(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)N2CCC(C2)C3=CC=NN3)F

DOS

IR

Vibrations