Geometry & MOs

Info

ID:	360165
PubChem CID:	127300748
Reduced:	SO2N6C18H24 (1)
Stoich.:	AB2C6D18E24 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	6.68
IP(EA), eV:	-8.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-oxo-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations