Geometry & MOs

Info

ID:	217884
PubChem CID:	85088532
Reduced:	O5C24H40 (1)
Stoich.:	A5B24C40 (1)
Weight, g/mol:	408.302831
ΔH_f, kcal/mol:	-247.1
Dipole, Da:	1.69
IP(EA), eV:	-9.63(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,7-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3H-chromen-4-one

Drug info:

PubChemData

Smile

CCCCCC=CCC(C1C(OC(O1)(C)C)C=CCC=CCCCC(=O)OC)O

DOS

IR

Vibrations