Geometry & MOs

Info

ID:	314579
PubChem CID:	126622263
Reduced:	BrNO4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	281.189198
ΔH_f, kcal/mol:	-145.34
Dipole, Da:	4.64
IP(EA), eV:	-8.57(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-3-pentylquinolin-8-yl)butanenitrile

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=CC(=C(C=C21)Br)OC)CC(=O)OC(C)(C)C

DOS

IR

Vibrations