Geometry & MOs

Info

ID:	356797
PubChem CID:	127292337
Reduced:	BrN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-148.92
Dipole, Da:	3.95
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-tert-butylpiperidin-4-yl)-2-methyl-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)NC(C)C2=CC3=C(C=C2Br)OCCO3

DOS

IR

Vibrations