Geometry & MOs

Info

ID:	256589
PubChem CID:	103140034
Reduced:	ClFN4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	275.08848
ΔH_f, kcal/mol:	28.27
Dipole, Da:	5.27
IP(EA), eV:	-9.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=C(C=C2)F)Cl)NN

DOS

IR

Vibrations