Geometry & MOs

Info

ID:	255430
PubChem CID:	103131974
Reduced:	BrOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	230.04186
ΔH_f, kcal/mol:	-96.81
Dipole, Da:	2.96
IP(EA), eV:	-9.62(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromopentan-2-yl)-1-methylpyrazole

Drug info:

PubChemData

Smile

CCCC(CCCC1CCC(O1)C)Br

DOS

IR

Vibrations