Geometry & MOs

Info

ID:	344447
PubChem CID:	127267623
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-50.5
Dipole, Da:	5.9
IP(EA), eV:	-8.92(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-quinolin-6-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3(CCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations