Geometry & MOs

Info

ID:	188359
PubChem CID:	77704407
Reduced:	ClNO6C23H26 (1)
Stoich.:	ABC6D23E26 (1)
Weight, g/mol:	460.320212
ΔH_f, kcal/mol:	-234.62
Dipole, Da:	1.95
IP(EA), eV:	-9.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[6-(2,6-dimethylpiperidin-1-yl)hexyl]-2-oxo-3,4-dihydroquinolin-3-yl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)C(CNC(=O)C3=CC=C(C=C3)Cl)O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations