Geometry & MOs

Info

ID:	80545
PubChem CID:	49835065
Reduced:	ON9C21H27 (1)
Stoich.:	AB9C21D27 (1)
Weight, g/mol:	430.222957
ΔH_f, kcal/mol:	90.07
Dipole, Da:	4.58
IP(EA), eV:	-8.58(-0.16)
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-methylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=NC(=N2)NC3=NNC(=C3)C4CC4)NCC5=CC=C(C=C5)O

DOS

IR

Vibrations