Geometry & MOs

Info

ID:	419258
PubChem CID:	135107833
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-40.99
Dipole, Da:	6.58
IP(EA), eV:	-8.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=O)C=C(NC2=C(C=C1)C)CN3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations