Geometry & MOs

Info

ID:	201251
PubChem CID:	79513173
Reduced:	OSN4C7H12 (1)
Stoich.:	ABC4D7E12 (1)
Weight, g/mol:	246.078011
ΔH_f, kcal/mol:	-16.22
Dipole, Da:	5.74
IP(EA), eV:	-8.53(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=NN=C(S1)N

DOS

IR

Vibrations