Geometry & MOs

Info

ID:	363076
PubChem CID:	127310107
Reduced:	O3N6C16H22 (1)
Stoich.:	A3B6C16D22 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-36.46
Dipole, Da:	2.03
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations