Geometry & MOs

Info

ID:	402471
PubChem CID:	135056117
Reduced:	O5C19H24 (1)
Stoich.:	A5B19C24 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-180.08
Dipole, Da:	7.61
IP(EA), eV:	-9.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-phenyl-1,3,3a,4-tetrahydro-2-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C2COCCCCCC3(CC2=C(CO3)C4=C1C(=O)OC4)OC

DOS

IR

Vibrations