Geometry & MOs

Info

ID:	224930
PubChem CID:	85730919
Reduced:	PO5C27H37 (1)
Stoich.:	AB5C27D37 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-255.44
Dipole, Da:	3.72
IP(EA), eV:	-9.35(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 11-(1,3-benzodioxol-5-yl)undecanoate

Drug info:

PubChemData

Smile

C1CCCCCCC=C(OCCCCCC1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations