Geometry & MOs

Info

ID:	38316
PubChem CID:	8030124
Reduced:	O2S2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-24.5
Dipole, Da:	3.55
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3C4=CC=CC=C4SC3=O

DOS

IR

Vibrations