Geometry & MOs

Info

ID:	80526
PubChem CID:	49834935
Reduced:	SO4N5C17H17 (1)
Stoich.:	AB4C5D17E17 (1)
Weight, g/mol:	419.254592
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	3.18
IP(EA), eV:	-8.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)N=NC2=NC=C(S2)CC(=O)ON3C(=O)CCC3=O

DOS

IR

Vibrations