Geometry & MOs

Info

ID:	292104
PubChem CID:	114451951
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	274.99795
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	3.86
IP(EA), eV:	-9.33(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

C1CNCC(C1O)CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations