Geometry & MOs

Info

ID:	217875
PubChem CID:	85088522
Reduced:	NO3H10C11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	408.189651
ΔH_f, kcal/mol:	-147.03
Dipole, Da:	3.63
IP(EA), eV:	-9.15(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-[4-[(4-hydroxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=C(C(NC(=C1C(=O)OC)C)C2=COC3=C4C=CC=CC4=NC3C2=O)C(=O)OC

DOS

IR

Vibrations