Geometry & MOs

Info

ID:	403291
PubChem CID:	135059586
Reduced:	OC11H11 (2)
Stoich.:	AB11C11 (2)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-38.54
Dipole, Da:	2.24
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-2-cyclohexyl-2,3-dihydro-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C[C@@]2(CCC3=CC=CC=C3C2=O)C(=O)C

DOS

IR

Vibrations