Geometry & MOs

Info

ID:	231927
PubChem CID:	87574935
Reduced:	SO2N6H20C21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	324.12224
ΔH_f, kcal/mol:	53.27
Dipole, Da:	4.48
IP(EA), eV:	-8.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-oxo-1H-pyridazin-5-yl)amino]-4-(1-phenylpropylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1COC(CN1CC=O)N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations