Geometry & MOs

Info

ID:	213113
PubChem CID:	81062919
Reduced:	N3O3C15H25 (1)
Stoich.:	A3B3C15D25 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-46.15
Dipole, Da:	9.03
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-ethoxyethyl(methyl)amino]methyl]-2-nitro-N-propylaniline

Drug info:

PubChemData

Smile

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])CN(C)CCOCC

DOS

IR

Vibrations