Geometry & MOs

Info

ID:	63106
PubChem CID:	26744257
Reduced:	O2N4C18H21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	48.57
Dipole, Da:	5.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.858298
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)[C@@H]3C[C@H](C[NH+]3CC4=CNC5=CC=CC=C54)O

DOS

IR

Vibrations