Geometry & MOs

Info

ID:	88721
PubChem CID:	49956273
Reduced:	OCl3N3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	218.074795
ΔH_f, kcal/mol:	113.68
Dipole, Da:	5.01
IP(EA), eV:	-9.08(-4.56)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(4-fluoroanilino)butan-1-ol;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)CNCCCN3C=CN=C3)Cl.[Cl-].[Cl-]

DOS

IR

Vibrations