Geometry & MOs

Info

ID:	420972
PubChem CID:	135115141
Reduced:	N5O5C28H33 (1)
Stoich.:	A5B5C28D33 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-115.34
Dipole, Da:	9.22
IP(EA), eV:	-8.99(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N3CCC(CC3)(NC(=O)C4=CC(=C(C=C4)OC)OCC5=CN(CCCO2)N=N5)C

DOS

IR

Vibrations