Geometry & MOs

Info

ID:	127846
PubChem CID:	51019402
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	336.157288
ΔH_f, kcal/mol:	-47.08
Dipole, Da:	2.76
IP(EA), eV:	-9.36(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R,5S)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@]12C3=CC=CC=C3CC[C@](O1)(C4=CC=CC=C24)O

DOS

IR

Vibrations