Geometry & MOs

Info

ID:	425548
PubChem CID:	135126679
Reduced:	ClON7C16H16 (1)
Stoich.:	ABC7D16E16 (1)
Weight, g/mol:	371.126136
ΔH_f, kcal/mol:	69.95
Dipole, Da:	6.08
IP(EA), eV:	-9.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-[3-(1,5-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)Cl)C3=NN(C=N3)C

DOS

IR

Vibrations