Geometry & MOs

Info

ID:	231497
PubChem CID:	87573923
Reduced:	ClSO4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	641.174925
ΔH_f, kcal/mol:	-138.03
Dipole, Da:	6.18
IP(EA), eV:	-9.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-phenyl-5-[(E)-2-phenylethenyl]-1,6-naphthyridin-2-yl]phenyl]methanamine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Cl)/C=C/S(=O)(=O)O

DOS

IR

Vibrations