Geometry & MOs

Info

ID:	420683
PubChem CID:	135114662
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	1.07
IP(EA), eV:	-8.26(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)N[C@@H]3CCCC[C@H]3O)C)C

DOS

IR

Vibrations