Geometry & MOs

Info

ID:	280890
PubChem CID:	103851782
Reduced:	N5C13H21 (1)
Stoich.:	A5B13C21 (1)
Weight, g/mol:	283.057548
ΔH_f, kcal/mol:	61.34
Dipole, Da:	5.65
IP(EA), eV:	-8.67(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-fluorophenol

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCC2=NN(C=C2)C(C)C

DOS

IR

Vibrations