Geometry & MOs

Info

ID:	421297
PubChem CID:	135115743
Reduced:	O4N5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-24.99
Dipole, Da:	9.75
IP(EA), eV:	-9.42(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@H]1O)(CC2CC2)C(=O)O)C3=NN=NN3C4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations