Geometry & MOs

Info

ID:	180173
PubChem CID:	76589607
Reduced:	ClN9C24H28 (1)
Stoich.:	AB9C24D28 (1)
Weight, g/mol:	401.207642
ΔH_f, kcal/mol:	130.12
Dipole, Da:	1.97
IP(EA), eV:	-8.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-amino-5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine

Drug info:

PubChemData

Smile

CC(C)C1CN(CCN1)C2=C(N=NC(=N2)C3=CC4=C(C=C3)NN=C4N)NCC5=CC=CC=C5Cl

DOS

IR

Vibrations