Geometry & MOs

Info

ID:	399388
PubChem CID:	135039977
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-97.81
Dipole, Da:	2.84
IP(EA), eV:	-9.31(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)C[C@@H](CO)O

DOS

IR

Vibrations