Geometry & MOs

Info

ID:	361699
PubChem CID:	127304414
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-88.93
Dipole, Da:	5.09
IP(EA), eV:	-9.28(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CCC3CCCO3

DOS

IR

Vibrations