Geometry & MOs

Info

ID:	79221
PubChem CID:	49747479
Reduced:	F2N3O4C31H33 (1)
Stoich.:	A2B3C4D31E33 (1)
Weight, g/mol:	496.248584
ΔH_f, kcal/mol:	-169.41
Dipole, Da:	4.94
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=C(C=C2)F)C(=O)NCC(C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C6=CC=CC=C6F

DOS

IR

Vibrations