Geometry & MOs

Info

ID:	229985
PubChem CID:	87569820
Reduced:	NO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	342.27701
ΔH_f, kcal/mol:	-193.27
Dipole, Da:	3.45
IP(EA), eV:	-8.93(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-(2-butyloctyl) 1-O-methyl heptanedioate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=NOCCCCCC2COC(OC2)(C)C(=O)O)C)C

DOS

IR

Vibrations