Geometry & MOs

Info

ID:	207092
PubChem CID:	80345941
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	329.069782
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	6.71
IP(EA), eV:	-9.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dichloro-2-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C2=NN=C(C=C2)C(=O)N

DOS

IR

Vibrations