Geometry & MOs

Info

ID:	363074
PubChem CID:	127310105
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	3.46
IP(EA), eV:	-8.85(-0.24)
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]-1,6,7,8-tetrahydroquinoline-2,5-dione

Drug info:

PubChemData

Smile

CCCN1CCCC1C(=O)N2CCN(CC2)C(C)C3=NC(=NO3)CC

DOS

IR

Vibrations