Geometry & MOs

Info

ID:	196681
PubChem CID:	78863681
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	268.07693
ΔH_f, kcal/mol:	-92.46
Dipole, Da:	2.88
IP(EA), eV:	-8.48(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,7-dioxo-7-thiophen-2-ylheptanoate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN(C)C(=O)CC2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations