Geometry & MOs

Info

ID:	187921
PubChem CID:	77643578
Reduced:	SN4O4F5C18H21 (1)
Stoich.:	AB4C4D5E18F21 (1)
Weight, g/mol:	309.086676
ΔH_f, kcal/mol:	-395.87
Dipole, Da:	3.55
IP(EA), eV:	-9.19(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(2-aminoethoxy)-5-chlorophenyl]-1-(triazin-2-ium-2-yl)urea

Drug info:

PubChemData

Smile

CC(C1=CC2=C(N=C(N=C2S1)OCC(CO)O)N3CCN(CC3)C(=O)CC(F)(F)F)(F)F

DOS

IR

Vibrations