Geometry & MOs

Info

ID:	88744
PubChem CID:	49956474
Reduced:	ClFNOH18C19 (1)
Stoich.:	ABCDE18F19 (1)
Weight, g/mol:	322.046866
ΔH_f, kcal/mol:	14.63
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750135
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NCC2=CC=C(O2)C3=CC=C(C=C3)F.[Cl-]

DOS

IR

Vibrations