Geometry & MOs

Info

ID:	143447
PubChem CID:	53210302
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	507.174726
ΔH_f, kcal/mol:	0.77
Dipole, Da:	6.39
IP(EA), eV:	-8.82(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN3C2=NCC3)C(=O)NCC(C)C4=CC=CC=C4

DOS

IR

Vibrations