Geometry & MOs

Info

ID:	146223
PubChem CID:	53653663
Reduced:	FSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	488.297185
ΔH_f, kcal/mol:	-174.36
Dipole, Da:	3.24
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[5-[4-amino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CCSC1=CC(=CC(=C1)F)C2(CCC(=O)CC2)C(=O)O

DOS

IR

Vibrations