Geometry & MOs

Info

ID:	210850
PubChem CID:	80862317
Reduced:	ON5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	61.04
Dipole, Da:	4.18
IP(EA), eV:	-9.14(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-nitro-3-octan-2-yloxyaniline

Drug info:

PubChemData

Smile

C#CCOC1=NC(=NC(=N1)N2CCCC2)N

DOS

IR

Vibrations