Geometry & MOs

Info

ID:	292234
PubChem CID:	114535128
Reduced:	BrFNOC17H25 (1)
Stoich.:	ABCDE17F25 (1)
Weight, g/mol:	242.118591
ΔH_f, kcal/mol:	-96.79
Dipole, Da:	3.32
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(chloromethyl)-2-methyloxolan-3-yl]methyl]-1-ethylpyrazole

Drug info:

PubChemData

Smile

CC1C(CCO1)(CC2=C(C=C(C=C2)Br)F)CNCC(C)C

DOS

IR

Vibrations