Geometry & MOs

Info

ID:	329392
PubChem CID:	126736032
Reduced:	O11H26C30 (1)
Stoich.:	A11B26C30 (1)
Weight, g/mol:	344.06155
ΔH_f, kcal/mol:	-394.43
Dipole, Da:	3.29
IP(EA), eV:	-8.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-chloro-5-fluoro-6-phenylmethoxynaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C(=C(C=C2O)O)C3[C@@H](C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)OC1C6=CC(=C(C=C6)O)O

DOS

IR

Vibrations