Geometry & MOs

Info

ID:	31803
PubChem CID:	3718923
Reduced:	NSO2H17C20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	-2.46
Dipole, Da:	6.78
IP(EA), eV:	-8.5(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methylideneamino]-6-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations