Geometry & MOs

Info

ID:	285185
PubChem CID:	104098515
Reduced:	ClFN5C9H9 (1)
Stoich.:	ABC5D9E9 (1)
Weight, g/mol:	281.08883
ΔH_f, kcal/mol:	40.67
Dipole, Da:	3.68
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(triazol-1-yl)ethylamino]-5-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCNC2=C(C=C(C=N2)Cl)F

DOS

IR

Vibrations