Geometry & MOs

Info

ID:	242306
PubChem CID:	96099838
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	4.18
IP(EA), eV:	-9.12(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCC(=O)N2CCC[C@@H]2C3=NOC(=N3)C(C)C

DOS

IR

Vibrations