Geometry & MOs

Info

ID:	361629
PubChem CID:	127303919
Reduced:	O3N6C15H22 (1)
Stoich.:	A3B6C15D22 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-15.15
Dipole, Da:	4.46
IP(EA), eV:	-9.08(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dihydroacenaphthylen-5-yl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)CCC3=NC(=NO3)C

DOS

IR

Vibrations