Geometry & MOs

Info

ID:	324257
PubChem CID:	126677249
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	227.126991
ΔH_f, kcal/mol:	-48.34
Dipole, Da:	3.9
IP(EA), eV:	-9.42(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-pyrazol-5-yl)-1,7,4-dioxazecan-9-ol

Drug info:

PubChemData

Smile

C1COC2(CCN(C2)C3=CC=NN3)OC1

DOS

IR

Vibrations