Geometry & MOs

Info

ID:	88559
PubChem CID:	49955420
Reduced:	ClOF3N3H12C15 (1)
Stoich.:	ABC3D3E12F15 (1)
Weight, g/mol:	382.040646
ΔH_f, kcal/mol:	-120.68
Dipole, Da:	6.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750369
Charge, e:	-2

Chem-info

IUPAC name:

N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-pyridin-3-ylmethanamine;dichloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)C(F)(F)F.[Cl-]

DOS

IR

Vibrations