Geometry & MOs

Info

ID:	375159
PubChem CID:	131472723
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	222.097998
ΔH_f, kcal/mol:	-97.5
Dipole, Da:	3.59
IP(EA), eV:	-8.73(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1O)C(=CS2)CC(=O)O)CBr

DOS

IR

Vibrations