Geometry & MOs

Info

ID:	361679
PubChem CID:	127304394
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	4.41
IP(EA), eV:	-9.37(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-quinolin-8-ylethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3CC(=O)N(C3)C(C)(C)C

DOS

IR

Vibrations