Geometry & MOs

Info

ID:	363009
PubChem CID:	127310030
Reduced:	F3N4O4C15H19 (1)
Stoich.:	A3B4C4D15E19 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-316.53
Dipole, Da:	8.97
IP(EA), eV:	-10.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2CCN(C2=O)CC(F)(F)F)C3CC3

DOS

IR

Vibrations