Geometry & MOs

Info

ID:	271688
PubChem CID:	103688430
Reduced:	BrOS2N3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	40.67
Dipole, Da:	4.96
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrazole

Drug info:

PubChemData

Smile

C1=CSC=C1C(CNC2=NN=C(S2)Br)O

DOS

IR

Vibrations