Geometry & MOs

Info

ID:	220618
PubChem CID:	85198058
Reduced:	NO6C17H27 (1)
Stoich.:	AB6C17D27 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-256.45
Dipole, Da:	3.8
IP(EA), eV:	-9.05(0.43)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2,9-dibutyl-5-nitro-4,14-diaza-2,9-diazoniatricyclo[8.4.0.03,8]tetradeca-1(10),2,4,6,8,11,13-heptaene

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCC(C2C1CCC2[N+](=CC)[O-])O)COC(=O)C

DOS

IR

Vibrations