Geometry & MOs

Info

ID:	257897
PubChem CID:	103149102
Reduced:	NOF4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	234.129217
ΔH_f, kcal/mol:	-232.37
Dipole, Da:	1.15
IP(EA), eV:	-9.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)CC(CCOCC(F)F)N

DOS

IR

Vibrations