Geometry & MOs

Info

ID:	407726
PubChem CID:	135080481
Reduced:	ClN3H8C9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	168.071721
ΔH_f, kcal/mol:	68.28
Dipole, Da:	3.85
IP(EA), eV:	-9.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-fluoroheptan-1-ol

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C2=CC=CC=N2

DOS

IR

Vibrations