Geometry & MOs

Info

ID:	79322
PubChem CID:	49748052
Reduced:	FO3N5C26H32 (1)
Stoich.:	AB3C5D26E32 (1)
Weight, g/mol:	509.280218
ΔH_f, kcal/mol:	-129.55
Dipole, Da:	4.21
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC(=CC=C2)N3CCCCC3=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations