Geometry & MOs

Info

ID:	63075
PubChem CID:	26744203
Reduced:	N3O4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	307.153206
ΔH_f, kcal/mol:	-78.24
Dipole, Da:	3.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.812922
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](C[NH+]2CC3=CC=C(O3)CO)O

DOS

IR

Vibrations