Geometry & MOs

Info

ID:	423442
PubChem CID:	135119513
Reduced:	O2N7C17H25 (1)
Stoich.:	A2B7C17D25 (1)
Weight, g/mol:	320.159689
ΔH_f, kcal/mol:	2.05
Dipole, Da:	3.47
IP(EA), eV:	-9.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(COC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations