Geometry & MOs

Info

ID:	29448
PubChem CID:	833869
Reduced:	BrNOF3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	246.007468
ΔH_f, kcal/mol:	-189.19
Dipole, Da:	4.51
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,2,2-trifluoroacetyl)amino]phenyl] thiocyanate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Br)NC(=O)C(F)(F)F

DOS

IR

Vibrations