Geometry & MOs

Info

ID:	319327
PubChem CID:	126655666
Reduced:	IN3O5H12C14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	279.97087
ΔH_f, kcal/mol:	-31.56
Dipole, Da:	4.94
IP(EA), eV:	-9.73(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(3-iodopyrazol-1-yl)oxolan-3-ol

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](CO1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=CC(=N3)I

DOS

IR

Vibrations