Geometry & MOs

Info

ID:	330190
PubChem CID:	127247177
Reduced:	FO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	4.39
IP(EA), eV:	-9.02(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)CCOC3=CC=CC=C3F

DOS

IR

Vibrations