Geometry & MOs

Info

ID:	198863
PubChem CID:	79163857
Reduced:	ClFN2O3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	293.283098
ΔH_f, kcal/mol:	-54.13
Dipole, Da:	1.7
IP(EA), eV:	-9.23(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-4-propylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCC2=C(C=CC(=C2)F)[N+](=O)[O-])CCl

DOS

IR

Vibrations