Geometry & MOs

Info

ID:	200498
PubChem CID:	79400392
Reduced:	BrSN2O2C7H11 (1)
Stoich.:	ABC2D2E7F11 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-72.15
Dipole, Da:	4.9
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclopropylamino)-3-oxopropyl]-6-azaspiro[2.5]octane-2-carboxamide

Drug info:

PubChemData

Smile

CC(CNC1=NC(=CS1)Br)(CO)O

DOS

IR

Vibrations