Geometry & MOs

Info

ID:	147081
PubChem CID:	53786720
Reduced:	F3N3O6H22C25 (1)
Stoich.:	A3B3C6D22E25 (1)
Weight, g/mol:	256.129731
ΔH_f, kcal/mol:	-278.33
Dipole, Da:	1.62
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-amino-2-nitrophenyl)-bis(2-hydroxyethyl)-methylazanium

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)OCC(F)(F)F)COC3=CC=CC(=C3)C(=CCN4C(=O)NC(=O)O4)C

DOS

IR

Vibrations