Geometry & MOs

Info

ID:	218725
PubChem CID:	85089871
Reduced:	O7C29H40 (1)
Stoich.:	A7B29C40 (1)
Weight, g/mol:	500.350175
ΔH_f, kcal/mol:	-309.35
Dipole, Da:	8.29
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[1-(methoxymethoxy)tridecyl]oxolan-2-yl]pent-4-ynyl benzoate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCC(=CCCC2=CCC(OC2OC(=O)C)C3=CC(=O)OC3OC(=O)C)C

DOS

IR

Vibrations