Geometry & MOs

Info

ID:	438350
PubChem CID:	135228083
Reduced:	SO5C13H26 (1)
Stoich.:	AB5C13D26 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	-244.14
Dipole, Da:	6.07
IP(EA), eV:	-10.01(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propoxy-4-(1H-pyrazol-4-yl)-9H-fluoren-9-ol

Drug info:

PubChemData

Smile

CCCCOS(=O)(=O)C1(CC1)CCCOC(C)(C)O

DOS

IR

Vibrations