Geometry & MOs

Info

ID:	151445
PubChem CID:	53801302
Reduced:	FCl2N2O4H15C17 (1)
Stoich.:	AB2C2D4E15F17 (1)
Weight, g/mol:	510.42574
ΔH_f, kcal/mol:	-108.53
Dipole, Da:	4.84
IP(EA), eV:	-10.0(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,4-N,6-N-tris[2-methyl-1-(2-methylpropoxy)propyl]-1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)Cl)F)[N+](=O)[O-]

DOS

IR

Vibrations