Geometry & MOs

Info

ID:	147506
PubChem CID:	53787162
Reduced:	ClNO3C26H40 (1)
Stoich.:	ABC3D26E40 (1)
Weight, g/mol:	298.178024
ΔH_f, kcal/mol:	-171.82
Dipole, Da:	5.84
IP(EA), eV:	-9.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-[5-(dimethoxymethyl)furan-2-yl]octanoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations