Geometry & MOs

Info

ID:	248416
PubChem CID:	103081450
Reduced:	BrNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	246.081599
ΔH_f, kcal/mol:	-98.64
Dipole, Da:	2.55
IP(EA), eV:	-8.41(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2-difluoroethoxy)ethyl]-3-nitroaniline

Drug info:

PubChemData

Smile

COC1CCC(C1)NCC2=CC(=C(C(=C2)Br)OC)OC

DOS

IR

Vibrations