Geometry & MOs

Info

ID:	443413
PubChem CID:	135258921
Reduced:	BrPN3O8C21H27 (1)
Stoich.:	ABC3D8E21F27 (1)
Weight, g/mol:	353.119855
ΔH_f, kcal/mol:	-346.07
Dipole, Da:	4.47
IP(EA), eV:	-9.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-nitro-4-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

CNC(=O)/C(=C\N(C=O)C1CCC(O1)COP(=O)(NCC(=O)OC)OC2=CC=CC=C2)/C=C/Br

DOS

IR

Vibrations