Geometry & MOs

Info

ID:	276788
PubChem CID:	103825207
Reduced:	BrN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-81.39
Dipole, Da:	4.57
IP(EA), eV:	-10.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4-hydroxy-2,2-dimethylbutyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC(=NC=C1)Br

DOS

IR

Vibrations