Geometry & MOs

Info

ID:	425547
PubChem CID:	135126678
Reduced:	FON6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	357.110486
ΔH_f, kcal/mol:	0.33
Dipole, Da:	2.79
IP(EA), eV:	-8.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-methyl-4-[2-methyl-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=CC(=NN=C2C(=O)NC)NC3=NC=C(C(=C3)C)F

DOS

IR

Vibrations