Geometry & MOs

Info

ID:	128422
PubChem CID:	51043258
Reduced:	OSN4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	54.41
Dipole, Da:	7.01
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=NC(=CS2)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations