Geometry & MOs

Info

ID:	417926
PubChem CID:	135103079
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	21.82
Dipole, Da:	3.58
IP(EA), eV:	-9.2(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NN=CN1CCN2CCCN(CC2)C(=O)C3CCC4=CC=CC=C34

DOS

IR

Vibrations