Geometry & MOs

Info

ID:	88724
PubChem CID:	49956284
Reduced:	NOCl2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	330.106095
ΔH_f, kcal/mol:	17.92
Dipole, Da:	4.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750024
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Cl)OC.[Cl-]

DOS

IR

Vibrations