Geometry & MOs

Info

ID:	188343
PubChem CID:	77702140
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	466.229266
ΔH_f, kcal/mol:	-17.09
Dipole, Da:	3.15
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(fluoromethyl)phenyl]methyl]-3-[[4-(4-fluorophenyl)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1C2CN(C1CN2C(=O)O)C3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations