Geometry & MOs

Info

ID:	255175
PubChem CID:	103130529
Reduced:	BrON3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	43.98
Dipole, Da:	6.58
IP(EA), eV:	-8.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexen-1-yl)-1-(1-methylpyrazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations