Geometry & MOs

Info

ID:	66379
PubChem CID:	46504478
Reduced:	OF2N4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-71.74
Dipole, Da:	4.08
IP(EA), eV:	-8.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=C(C=CC=C4F)F)C(=C2)C

DOS

IR

Vibrations