Geometry & MOs

Info

ID:	287221
PubChem CID:	104234080
Reduced:	FNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	278.154289
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	3.14
IP(EA), eV:	-8.82(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CCOCCCOC1=C(C=C(C=C1)C(C)N)F

DOS

IR

Vibrations