Geometry & MOs

Info

ID:	319252
PubChem CID:	126655435
Reduced:	SO2N4C8H14 (1)
Stoich.:	AB2C4D8E14 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	6.08
IP(EA), eV:	-9.37(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-pyrazol-5-yl)azepan-3-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCN(C1)C2=CC=NN2

DOS

IR

Vibrations