Geometry & MOs

Info

ID:	203773
PubChem CID:	79868164
Reduced:	SBr2N2O2C12H16 (1)
Stoich.:	AB2C2D2E12F16 (1)
Weight, g/mol:	269.246713
ΔH_f, kcal/mol:	-55.79
Dipole, Da:	5.16
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-3-methylpiperidin-1-yl)-N-heptan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1CN(CCC1N)S(=O)(=O)C2=C(C=CC(=C2)Br)Br

DOS

IR

Vibrations