Geometry & MOs

Info

ID:	158250
PubChem CID:	56463230
Reduced:	ClN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	408.17731
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	3.28
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)Cl)N(C)C3CC3

DOS

IR

Vibrations