Geometry & MOs

Info

ID:	200486
PubChem CID:	79396384
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	291.006513
ΔH_f, kcal/mol:	1.55
Dipole, Da:	5.62
IP(EA), eV:	-8.82(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dichloro-4-nitrophenoxy)-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CN=C(N1)CC2CCNC2

DOS

IR

Vibrations