Geometry & MOs

Info

ID:	345633
PubChem CID:	127269933
Reduced:	BrN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	267.231063
ΔH_f, kcal/mol:	-164.01
Dipole, Da:	4.33
IP(EA), eV:	-8.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1Br)OCCO2)NC(=O)NC3CCCNC3=O

DOS

IR

Vibrations