Geometry & MOs

Info

ID:	180174
PubChem CID:	76589608
Reduced:	N9C21H23 (1)
Stoich.:	A9B21C23 (1)
Weight, g/mol:	569.282698
ΔH_f, kcal/mol:	154.51
Dipole, Da:	5.49
IP(EA), eV:	-8.19(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[bis[(3-fluorophenyl)methyl]amino]-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine

Drug info:

PubChemData

Smile

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(N=NC(=N3)C4=CC5=C(C=C4)NN=C5N)N

DOS

IR

Vibrations