Geometry & MOs

Info

ID:	378387
PubChem CID:	134224466
Reduced:	FOSN3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	178.146999
ΔH_f, kcal/mol:	-18.5
Dipole, Da:	5.78
IP(EA), eV:	-9.11(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,3-dimethylcyclopentyl)-1-methylpyrazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)F)SNC2=NC=NC=C2

DOS

IR

Vibrations