Geometry & MOs

Info

ID:	291523
PubChem CID:	113247040
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	248.168877
ΔH_f, kcal/mol:	-56.73
Dipole, Da:	2.02
IP(EA), eV:	-8.75(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluoro-3-methylphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC=C1)NCC(C)(C)OC

DOS

IR

Vibrations