Geometry & MOs

Info

ID:	203732
PubChem CID:	79862925
Reduced:	NOSC17H27 (1)
Stoich.:	ABCD17E27 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-40.02
Dipole, Da:	3.79
IP(EA), eV:	-8.11(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-(2-propylpyrazol-3-yl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CCCNC1C(CCC1(C)C)S(=O)CC2=CC=CC=C2

DOS

IR

Vibrations