Geometry & MOs

Info

ID:	163872
PubChem CID:	74380586
Reduced:	ON8C17H24 (1)
Stoich.:	AB8C17D24 (1)
Weight, g/mol:	432.189651
ΔH_f, kcal/mol:	29.07
Dipole, Da:	5.11
IP(EA), eV:	-8.99(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-ethynylphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=NC3=CC=CC=C3N2)N)C4C5C(NCN4)NC(=O)N5

DOS

IR

Vibrations