Geometry & MOs

Info

ID:	361261
PubChem CID:	127302425
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	6.01
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-methyl-N-(3-methylbutan-2-yl)-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCC(CC3)NC(=O)C4=CSC=C4

DOS

IR

Vibrations