Geometry & MOs

Info

ID:	271674
PubChem CID:	103687883
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	254.01671
ΔH_f, kcal/mol:	38.84
Dipole, Da:	4.97
IP(EA), eV:	-8.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCOC2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations