Geometry & MOs

Info

ID:	407364
PubChem CID:	135079942
Reduced:	FNO5H26C28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	415.158372
ΔH_f, kcal/mol:	-134.76
Dipole, Da:	1.47
IP(EA), eV:	-8.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-[3-[[(1R)-7-fluoro-2,3-dihydro-1H-inden-1-yl]iminomethyl]phenoxy]-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C(=C/C(=O)OC)/OC2=CC=CC(=C2)C=N[C@@H]3CCC4=C3C(=CC=C4)F)OC

DOS

IR

Vibrations