Geometry & MOs

Info

ID:	138914
PubChem CID:	52442096
Reduced:	SO3N4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	355.179696
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	8.71
IP(EA), eV:	-8.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]quinolin-2-amine

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=CC=C(C=C1)N)/C2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations