Geometry & MOs

Info

ID:	242296
PubChem CID:	96099828
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-46.44
Dipole, Da:	6.52
IP(EA), eV:	-9.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C[C@@H](C)C(=O)N2CCC[C@@H]2C3=NOC(=N3)C(C)C

DOS

IR

Vibrations