Geometry & MOs

Info

ID:	242255
PubChem CID:	96099351
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	15.07
Dipole, Da:	7.41
IP(EA), eV:	-9.83(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)[C@H]2CCCN2C(=O)CCCN3C=NC=N3

DOS

IR

Vibrations