Geometry & MOs

Info

ID:	282047
PubChem CID:	103914796
Reduced:	FON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	271.11392
ΔH_f, kcal/mol:	-51.56
Dipole, Da:	2.83
IP(EA), eV:	-9.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations