Geometry & MOs

Info

ID:	197377
PubChem CID:	78959189
Reduced:	ClOSN2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	279.08262
ΔH_f, kcal/mol:	-1.25
Dipole, Da:	3.7
IP(EA), eV:	-8.74(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CN(C)C(CNCC1=C(C=CC=C1Cl)O)C2=CC=CS2

DOS

IR

Vibrations