Geometry & MOs

Info

ID:	10782
PubChem CID:	107903
Reduced:	F2N7C28H33 (1)
Stoich.:	A2B7C28D33 (1)
Weight, g/mol:	505.27655
ΔH_f, kcal/mol:	21.93
Dipole, Da:	1.49
IP(EA), eV:	-9.03(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2,2-bis(4-fluorophenyl)ethylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C=CCNC1=NC(=NC(=N1)N2CCC(CC2)NCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C

DOS

IR

Vibrations