Geometry & MOs

Info

ID:	417812
PubChem CID:	135102807
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-94.56
Dipole, Da:	3.03
IP(EA), eV:	-9.06(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COCCC1CCCN(C1)C2=NOC(=C2C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations