Geometry & MOs

Info

ID:	248407
PubChem CID:	103081385
Reduced:	ClOSN2C10H15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	271.076848
ΔH_f, kcal/mol:	-21.62
Dipole, Da:	2.67
IP(EA), eV:	-9.33(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,2-difluoroethoxy)ethylamino]-4-nitrobenzonitrile

Drug info:

PubChemData

Smile

COC1CCC(C1)NCC2=NC=C(S2)Cl

DOS

IR

Vibrations