Geometry & MOs

Info

ID:	248431
PubChem CID:	103081589
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	247.076848
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	4.25
IP(EA), eV:	-8.88(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2-difluoroethoxy)ethyl]-6-nitropyridin-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations