Geometry & MOs

Info

ID:	45793
PubChem CID:	10517667
Reduced:	NSF3O3H8C11 (1)
Stoich.:	ABC3D3E8F11 (1)
Weight, g/mol:	291.089543
ΔH_f, kcal/mol:	-202.87
Dipole, Da:	5.24
IP(EA), eV:	-10.09(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methyl]-4-oxochromene-7-carbonitrile

Drug info:

PubChemData

Smile

C/C(=C(\C1=CC=CC=C1)/OS(=O)(=O)C(F)(F)F)/C#N

DOS

IR

Vibrations