Geometry & MOs

Info

ID:	264520
PubChem CID:	103466622
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-68.47
Dipole, Da:	4.43
IP(EA), eV:	-9.6(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2,2-dimethylbutyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

COCC1(CCC(=O)NC1)C2=CC=CC=C2

DOS

IR

Vibrations