Geometry & MOs

Info

ID:	52075
PubChem CID:	12014858
Reduced:	SN2F3O3H15C19 (1)
Stoich.:	AB2C3D3E15F19 (1)
Weight, g/mol:	292.14633
ΔH_f, kcal/mol:	-191.06
Dipole, Da:	4.87
IP(EA), eV:	-8.62(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-1H-isochromen-4-ylidenemethyl]-1-phenylbut-3-en-1-ol

Drug info:

PubChemData

Smile

CN1CCC2=CN=CC(=C21)C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations