Geometry & MOs

Info

ID:	165848
PubChem CID:	74604462
Reduced:	NO2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	327.066221
ΔH_f, kcal/mol:	-105.81
Dipole, Da:	3.22
IP(EA), eV:	-9.94(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenoxy)ethyl 3-(3-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1C(=O)N=C2CCCC(=O)C2=N1

DOS

IR

Vibrations