Geometry & MOs

Info

ID:	63091
PubChem CID:	26744226
Reduced:	O2N4C21H25 (1)
Stoich.:	A2B4C21D25 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	33.16
Dipole, Da:	4.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.833892
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](C[NH+]2CC3=CC=C(C=C3)C4=CC=CC=N4)O

DOS

IR

Vibrations