Geometry & MOs

Info

ID:	121677
PubChem CID:	50776557
Reduced:	O4N6C19H20 (1)
Stoich.:	A4B6C19D20 (1)
Weight, g/mol:	474.153262
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	6.79
IP(EA), eV:	-9.72(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethylphenyl)thieno[3,2-c]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C(=NN(C1=O)C2=CC=CC=C2)C3=NOC(=N3)C(=O)N4CCCCCC4

DOS

IR

Vibrations