Geometry & MOs

Info

ID:	260335
PubChem CID:	103188875
Reduced:	F3N3C15H20 (1)
Stoich.:	A3B3C15D20 (1)
Weight, g/mol:	228.140868
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	7.8
IP(EA), eV:	-8.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N'-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylcarbamimidothioate

Drug info:

PubChemData

Smile

CCN(C1=C(C=C(C=C1)C(F)(F)F)C#N)C(C)CN(C)C

DOS

IR

Vibrations