Geometry & MOs

Info

ID:	186201
PubChem CID:	77403027
Reduced:	O3C23H30 (1)
Stoich.:	A3B23C30 (1)
Weight, g/mol:	314.151809
ΔH_f, kcal/mol:	-135.83
Dipole, Da:	3.18
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-(4-methoxy-2,6-dimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-4-en-3-one

Drug info:

PubChemData

Smile

CCCCCC12CCC(O1)C3C2C(=O)C(=C3O)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations