Geometry & MOs

Info

ID:	169323
PubChem CID:	75089223
Reduced:	FNO2C6H10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	202.095357
ΔH_f, kcal/mol:	-113.55
Dipole, Da:	2.79
IP(EA), eV:	-9.13(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)butane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

C1C2CONC2C(C1F)O

DOS

IR

Vibrations