Geometry & MOs

Info

ID:	260084
PubChem CID:	103180616
Reduced:	N2O3C15H26 (1)
Stoich.:	A2B3C15D26 (1)
Weight, g/mol:	314.092101
ΔH_f, kcal/mol:	-111.2
Dipole, Da:	2.13
IP(EA), eV:	-8.47(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C=C1)COCCOCCCOC

DOS

IR

Vibrations