Geometry & MOs

Info

ID:	269841
PubChem CID:	103619352
Reduced:	S2F3N3C11H12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	301.086053
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	6.03
IP(EA), eV:	-9.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyrazol-1-ylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=C(C=NN2)CNCCSC(F)(F)F

DOS

IR

Vibrations