Geometry & MOs

Info

ID:	311124
PubChem CID:	126589507
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	415.134194
ΔH_f, kcal/mol:	-137.68
Dipole, Da:	4.02
IP(EA), eV:	-9.19(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(Z)-2-amino-3-[amino(4-fluorobutyl)amino]prop-2-enyl]-methylamino]methyl]-5,7-dichloroquinolin-8-ol

Drug info:

PubChemData

Smile

CCNCC(=O)NC(CC1=CC=CC=C1)C(=O)N[C@H](C)OCNCC

DOS

IR

Vibrations