Geometry & MOs

Info

ID:	80559
PubChem CID:	49835124
Reduced:	ON10C26H26 (1)
Stoich.:	AB10C26D26 (1)
Weight, g/mol:	404.207307
ΔH_f, kcal/mol:	150.4
Dipole, Da:	6.51
IP(EA), eV:	-8.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-benzyl-2-N,2-N-diethyl-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=NC=C2)C3=NC(=NC(=N3)NC4=NNC(=C4)C5=CC=CO5)NCC6=CC=CC=C6

DOS

IR

Vibrations