Geometry & MOs

Info

ID:	255144
PubChem CID:	103130305
Reduced:	BrON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	194.141913
ΔH_f, kcal/mol:	49.43
Dipole, Da:	4.64
IP(EA), eV:	-9.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(1-methylpyrazol-3-yl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C3C(=C(C=C2)Br)C=CC=N3)O

DOS

IR

Vibrations