Geometry & MOs

Info

ID:	151111
PubChem CID:	53790809
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	454.235539
ΔH_f, kcal/mol:	-38.78
Dipole, Da:	5.31
IP(EA), eV:	-9.07(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(3,7-dimethylocta-2,6-dienoxy)-4-hex-3-enoxy-2-oxochromen-3-yl] acetate

Drug info:

PubChemData

Smile

CCCNC(=O)CCN1C=CN=C1C

DOS

IR

Vibrations