Geometry & MOs

Info

ID:	296715
PubChem CID:	117589833
Reduced:	O2N5C14H15 (1)
Stoich.:	A2B5C14D15 (1)
Weight, g/mol:	376.181173
ΔH_f, kcal/mol:	46.46
Dipole, Da:	3.45
IP(EA), eV:	-9.0(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]triazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2N=C(C(=N2)N3CCOCC3)C#N

DOS

IR

Vibrations