Geometry & MOs

Info

ID:

88743

PubChem CID:

49956472

Reduced:

ClOSN3C16H21 (1)

Stoich.:

ABCD3E16F21 (1)

Weight, g/mol:

330.106095

ΔHf, kcal/mol:

13.54

Dipole, Da:

1.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.904613

Charge, e:

 -1

Chem-info

IUPAC name:

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-phenylethanamine;chloride

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNCCCSC2=NC=CC=N2.[Cl-]

DOS

IR

Vibrations