Geometry & MOs

Info

ID:	78982
PubChem CID:	49742965
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	324.093249
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	6.55
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(4-ethyl-2-oxo-1H-quinolin-7-yl)-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations