Geometry & MOs

Info

ID:	146377
PubChem CID:	53677982
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	290.097666
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	2.42
IP(EA), eV:	-9.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-methoxyphenyl)-2-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CN1C(C(C1=O)N)C=CC2=CC=CO2

DOS

IR

Vibrations