Geometry & MOs

Info

ID:	373719
PubChem CID:	131319216
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	138.115698
ΔH_f, kcal/mol:	-82.26
Dipole, Da:	5.38
IP(EA), eV:	-9.47(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpiperidin-2-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)Br)CO)C(=O)O

DOS

IR

Vibrations