Geometry & MOs

Info

ID:	448432
PubChem CID:	135290861
Reduced:	F3O3N4H17C20 (1)
Stoich.:	A3B3C4D17E20 (1)
Weight, g/mol:	171.083019
ΔH_f, kcal/mol:	-166.09
Dipole, Da:	9.7
IP(EA), eV:	-9.25(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butylsulfanyl-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCCC(=O)C4

DOS

IR

Vibrations