Geometry & MOs

Info

ID:	121680
PubChem CID:	50776688
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	402.176585
ΔH_f, kcal/mol:	-94.28
Dipole, Da:	5.05
IP(EA), eV:	-9.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)NC1=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations