Geometry & MOs

Info

ID:	323819
PubChem CID:	126676260
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	385.084967
ΔH_f, kcal/mol:	-41.3
Dipole, Da:	3.13
IP(EA), eV:	-8.88(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-difluoro-4-methylphenoxy)methyl]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)COCCNC)C

DOS

IR

Vibrations