Geometry & MOs

Info

ID:	425549
PubChem CID:	135126681
Reduced:	ClON7C17H18 (1)
Stoich.:	ABC7D17E18 (1)
Weight, g/mol:	357.110486
ΔH_f, kcal/mol:	59.44
Dipole, Da:	7.15
IP(EA), eV:	-9.15(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-methyl-4-[2-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=CC(=NN=C2C(=O)NC)Cl)C3=NN(C(=N3)C)C

DOS

IR

Vibrations