Geometry & MOs

Info

ID:	405988
PubChem CID:	135076191
Reduced:	NO2F5H14C22 (1)
Stoich.:	AB2C5D14E22 (1)
Weight, g/mol:	321.16079
ΔH_f, kcal/mol:	-222.62
Dipole, Da:	3.82
IP(EA), eV:	-9.85(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenoxy)methyl]-1-octyltriazole

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)NC3=C(C(=C(C(=C3F)F)F)F)F

DOS

IR

Vibrations