Geometry & MOs

Info

ID:	280911
PubChem CID:	103851888
Reduced:	SF2N2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	255.176919
ΔH_f, kcal/mol:	-51.57
Dipole, Da:	4.34
IP(EA), eV:	-9.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations