Geometry & MOs

Info

ID:	58512
PubChem CID:	24702187
Reduced:	FNH2C4 (3)
Stoich.:	ABC2D4 (3)
Weight, g/mol:	212.078348
ΔH_f, kcal/mol:	-40.63
Dipole, Da:	4.66
IP(EA), eV:	-9.27(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(dimethylamino)methyl]-3-fluorobenzenecarbothioamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NC2=C(C(=C(C=C2)F)F)F)C#N

DOS

IR

Vibrations