Geometry & MOs

Info

ID:	52269
PubChem CID:	12015081
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	1.91
Dipole, Da:	3.45
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-nitro-3-phenylpropyl)piperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC(C2=CC=CC=C2)Br

DOS

IR

Vibrations