Geometry & MOs

Info

ID:	361633
PubChem CID:	127303927
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	385.175004
ΔH_f, kcal/mol:	-1.07
Dipole, Da:	0.77
IP(EA), eV:	-8.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CC=CC4=C3NC5=C4CCCC5

DOS

IR

Vibrations