Geometry & MOs

Info

ID:	69601
PubChem CID:	47205010
Reduced:	SO3N4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-62.87
Dipole, Da:	3.41
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations