Geometry & MOs

Info

ID:	208912
PubChem CID:	80603328
Reduced:	BrFOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-104.2
Dipole, Da:	2.62
IP(EA), eV:	-9.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclooctyl-(2-propylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

C1CCCC(CCC1)C(CC2=C(C=CC(=C2)Br)F)O

DOS

IR

Vibrations