Geometry & MOs

Info

ID:	386437
PubChem CID:	134981751
Reduced:	CoNSSiO2C29H32 (1)
Stoich.:	ABCDE2F29G32 (1)
Weight, g/mol:	286.120509
ΔH_f, kcal/mol:	14.31
Dipole, Da:	8.53
IP(EA), eV:	-8.33(-5.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(4-methoxyphenyl)-1,3,7,7a-tetrahydro-2-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

C[Si](C)(C)C1=C2CCCC2=C[C@H]3[C@@H]1C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5.C1=C[CH]C=C1.[Co]

DOS

IR

Vibrations