Geometry & MOs

Info

ID:	315601
PubChem CID:	126628080
Reduced:	NH21C31 (2)
Stoich.:	AB21C31 (2)
Weight, g/mol:	243.11201
ΔH_f, kcal/mol:	272.59
Dipole, Da:	2.72
IP(EA), eV:	-7.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=CC(=C4)C5=CC6=CC=CC=C6C=C5)C7=C3C=C(C=C7)C8=CC=CC=C8C9=CC=CC=C9N(C1=CC=CC=C1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations