Geometry & MOs

Info

ID:	80558
PubChem CID:	49835118
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	494.229106
ΔH_f, kcal/mol:	-30.0
Dipole, Da:	3.02
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-benzyl-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)C(=O)C(=O)NC3=CC=CC(=C3C)C

DOS

IR

Vibrations