Geometry & MOs

Info

ID:	423044
PubChem CID:	135118835
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-45.99
Dipole, Da:	7.34
IP(EA), eV:	-8.51(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=CC2=C1C=CC(=C2)CN3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations