Geometry & MOs

Info

ID:	282386
PubChem CID:	103924713
Reduced:	NOF2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	257.159121
ΔH_f, kcal/mol:	-96.06
Dipole, Da:	2.8
IP(EA), eV:	-8.86(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(2,3-difluorophenyl)ethylamino]methyl]pentan-3-ol

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)F)F)NCCC2=CC(=CC=C2)OC

DOS

IR

Vibrations