Geometry & MOs

Info

ID:	205313
PubChem CID:	80085210
Reduced:	BrClN2O2C15H16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-45.93
Dipole, Da:	1.82
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylpiperidin-3-yl)-2,2-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCC(=O)N1)C2=CC(=C(C=C2)Cl)Br)C3CC3

DOS

IR

Vibrations