Geometry & MOs

Info

ID:	242397
PubChem CID:	96099929
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	17.58
Dipole, Da:	3.37
IP(EA), eV:	-9.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)[C@@H]3C[C@@H]3C4=CN(N=C4)C

DOS

IR

Vibrations