Geometry & MOs

Info

ID:	200831
PubChem CID:	79449891
Reduced:	FSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	276.04734
ΔH_f, kcal/mol:	-217.46
Dipole, Da:	5.91
IP(EA), eV:	-9.86(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropane-1,3-diol

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCC(CO)(CO)C1=CC(=CC=C1)F

DOS

IR

Vibrations