Geometry & MOs

Info

ID:	279772
PubChem CID:	103845118
Reduced:	SN3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	255.176919
ΔH_f, kcal/mol:	32.23
Dipole, Da:	3.53
IP(EA), eV:	-8.66(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)CNC2CCSC2

DOS

IR

Vibrations