Geometry & MOs

Info

ID:	79809
PubChem CID:	49830545
Reduced:	OCl2N4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	400.049381
ΔH_f, kcal/mol:	26.88
Dipole, Da:	4.62
IP(EA), eV:	-8.57(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dichlorophenyl)methylamino]-4-[1H-indazol-5-yl(methyl)amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNC(=O)NC2=CC3=C(C=C2)NN=C3)Cl)Cl

DOS

IR

Vibrations