Geometry & MOs

Info

ID:	17429
PubChem CID:	498328
Reduced:	O3C21H34 (1)
Stoich.:	A3B21C34 (1)
Weight, g/mol:	334.250795
ΔH_f, kcal/mol:	-153.93
Dipole, Da:	3.59
IP(EA), eV:	-9.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3,5-dimethyl-6-(4,6,8-trimethylundec-2-en-2-yl)pyran-4-one

Drug info:

PubChemData

Smile

CCCC(C)CC(C)CC(C)C=C(C)C1=C(C(=O)C(=C(O1)O)C)C

DOS

IR

Vibrations