Geometry & MOs

Info

ID:	88745
PubChem CID:	49956485
Reduced:	ClFNOSH14C16 (1)
Stoich.:	ABCDEF14G16 (1)
Weight, g/mol:	290.131167
ΔH_f, kcal/mol:	54.96
Dipole, Da:	2.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.209629
Charge, e:	-1

Chem-info

IUPAC name:

N-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;chloride

Drug info:

PubChemData

Smile

C1=CSC(=C1)CNCC2=CC=C(O2)C3=CC=C(C=C3)F.[Cl-]

DOS

IR

Vibrations