Geometry & MOs

Info

ID:	147599
PubChem CID:	53787255
Reduced:	SO6N7H20C22 (1)
Stoich.:	AB6C7D20E22 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-28.48
Dipole, Da:	6.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125667
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-2-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CON=C(C1=NOC(=N1)N)C(=O)NC2[C@H]3N(C2=O)C(=C(CS3)C[N+]4=CC5=CC=CC=C5C=C4)C(=O)O

DOS

IR

Vibrations