Geometry & MOs

Info

ID:	326861
PubChem CID:	126688439
Reduced:	SN5O6C22H25 (1)
Stoich.:	AB5C6D22E25 (1)
Weight, g/mol:	112.063663
ΔH_f, kcal/mol:	-163.02
Dipole, Da:	3.94
IP(EA), eV:	-8.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-diazabicyclo[3.1.1]heptan-3-one

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(N2CCCO)C=CC(=C3)N4CCOCC4=O

DOS

IR

Vibrations