Geometry & MOs

Info

ID:	418299
PubChem CID:	135104089
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-21.13
Dipole, Da:	2.63
IP(EA), eV:	-7.84(0.57)
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-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations