Geometry & MOs

Info

ID:	425737
PubChem CID:	135127696
Reduced:	F2O3N6C24H26 (1)
Stoich.:	A2B3C6D24E26 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	-75.91
Dipole, Da:	6.45
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylphenoxy)methyl]-1-[3-(1,2,4-triazol-1-yl)propyl]triazole

Drug info:

PubChemData

Smile

CC(=O)/C=C/C1=CC=C(C=C1)OC/C(=C/N(CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O)N)/N

DOS

IR

Vibrations