Geometry & MOs

Info

ID:	88707
PubChem CID:	49956187
Reduced:	OSCl2N4C14H16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	329.105681
ΔH_f, kcal/mol:	177.02
Dipole, Da:	15.87
IP(EA), eV:	-8.11(-7.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;chloride

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CNC(=O)C2=CSC3=C2CCNC3.[Cl-].[Cl-]

DOS

IR

Vibrations