Geometry & MOs

Info

ID:	24745
PubChem CID:	612861
Reduced:	N2O5C24H34 (1)
Stoich.:	A2B5C24D34 (1)
Weight, g/mol:	430.246772
ΔH_f, kcal/mol:	-143.37
Dipole, Da:	5.73
IP(EA), eV:	-9.91(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3-methyl-6-nitro-2-undecylquinolin-4-yl) carbonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=C(C(=C2C=C(C=CC2=N1)[N+](=O)[O-])OC(=O)OCC)C

DOS

IR

Vibrations