Geometry & MOs

Info

ID:	68644
PubChem CID:	46508824
Reduced:	O3N6C25H30 (1)
Stoich.:	A3B6C25D30 (1)
Weight, g/mol:	433.166938
ΔH_f, kcal/mol:	-32.49
Dipole, Da:	2.76
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(2-chloroquinolin-3-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CC(=O)NC(=O)NC4=CC=CC(=C4C)C

DOS

IR

Vibrations