Geometry & MOs

Info

ID:	66380
PubChem CID:	46504479
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	392.20124
ΔH_f, kcal/mol:	-54.07
Dipole, Da:	6.54
IP(EA), eV:	-7.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=C(C(=CC=C4)OC)OC)C(=C2)C

DOS

IR

Vibrations