Geometry & MOs

Info

ID:	361519
PubChem CID:	127303709
Reduced:	ON7C14H19 (1)
Stoich.:	AB7C14D19 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	65.6
Dipole, Da:	8.59
IP(EA), eV:	-9.14(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCN2C=CN=N2)C3=NN=CC=C3

DOS

IR

Vibrations