Geometry & MOs

Info

ID:	221402
PubChem CID:	85272545
Reduced:	NO5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	245.132826
ΔH_f, kcal/mol:	-249.46
Dipole, Da:	4.87
IP(EA), eV:	-10.29(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-fluorophenyl)hex-5-enyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(=O)NC(CCCCCC(=O)OC)C(=O)O

DOS

IR

Vibrations