Geometry & MOs

Info

ID:	218036
PubChem CID:	85088775
Reduced:	O5C25H42 (1)
Stoich.:	A5B25C42 (1)
Weight, g/mol:	422.354866
ΔH_f, kcal/mol:	-270.78
Dipole, Da:	4.43
IP(EA), eV:	-9.63(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(16-ethynyl-3,7,12,19-tetramethylicosa-3,7,11,15,18-pentaenyl)-2,2-dimethyloxirane

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCC=C1CC(OC1=O)(CO)COC(=O)C

DOS

IR

Vibrations