Geometry & MOs

Info

ID:	200853
PubChem CID:	79453810
Reduced:	OBr2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	310.100354
ΔH_f, kcal/mol:	-96.86
Dipole, Da:	3.12
IP(EA), eV:	-9.67(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-3-[3-chloro-2-(2-chlorophenyl)propyl]pyrazole

Drug info:

PubChemData

Smile

CCCC(CCOCCC(C)C)(CBr)CBr

DOS

IR

Vibrations