Geometry & MOs

Info

ID:	288854
PubChem CID:	104327027
Reduced:	FON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	276.138639
ΔH_f, kcal/mol:	-29.08
Dipole, Da:	1.42
IP(EA), eV:	-8.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-ethoxy-3-fluorophenyl)triazol-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCCNCC1=NN(C=C1)C2=CC(=C(C=C2)OCC)F

DOS

IR

Vibrations