Geometry & MOs

Info

ID:	198936
PubChem CID:	79174580
Reduced:	ClO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	237.220498
ΔH_f, kcal/mol:	34.83
Dipole, Da:	1.56
IP(EA), eV:	-9.3(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-3-(piperidin-4-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations