Geometry & MOs

Info

ID:	274098
PubChem CID:	103807005
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	-74.29
Dipole, Da:	6.19
IP(EA), eV:	-8.22(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)[C@H]3CCC(=O)N3)NC1

DOS

IR

Vibrations