Geometry & MOs

Info

ID:	242374
PubChem CID:	96099906
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	25.98
Dipole, Da:	6.05
IP(EA), eV:	-9.79(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(=O)N2CCC[C@@H]2C3=NOC(=N3)C(C)C)C#N

DOS

IR

Vibrations