Geometry & MOs

Info

ID:	189472
PubChem CID:	77861887
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	684.53289
ΔH_f, kcal/mol:	-38.21
Dipole, Da:	6.37
IP(EA), eV:	-9.26(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

didecyl 2-[4-[1-(1,3-dioxolan-2-yl)ethyl]phenyl]-3-octylbut-2-enedioate

Drug info:

PubChemData

Smile

CC1CCCN1C(=O)C2=CC=C(C=C2)C(C)N

DOS

IR

Vibrations