Geometry & MOs

Info

ID:	203409
PubChem CID:	79827083
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-68.34
Dipole, Da:	9.5
IP(EA), eV:	-9.14(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-nitropyridine-2,6-diamine

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(CNC2=NC(=C(C=C2)[N+](=O)[O-])N)O

DOS

IR

Vibrations