Geometry & MOs

Info

ID:	425551
PubChem CID:	135126683
Reduced:	O2N8C21H24 (1)
Stoich.:	A2B8C21D24 (1)
Weight, g/mol:	371.126136
ΔH_f, kcal/mol:	43.61
Dipole, Da:	9.66
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=CC(=NN=C2C(=O)NC)NC(=O)C3CC3)C4=NN(C(=N4)C)C

DOS

IR

Vibrations