Geometry & MOs

Info

ID:	409055
PubChem CID:	135081829
Reduced:	O3C17H23 (2)
Stoich.:	A3B17C23 (2)
Weight, g/mol:	148.088815
ΔH_f, kcal/mol:	-246.36
Dipole, Da:	6.49
IP(EA), eV:	-9.19(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene

Drug info:

PubChemData

Smile

CC(=O)OC(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)OC(=O)C

DOS

IR

Vibrations