Geometry & MOs

Info

ID:	215948
PubChem CID:	85085488
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	-12.52
Dipole, Da:	4.04
IP(EA), eV:	-8.48(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexa-2,5-diynoxy-1-azabicyclo[2.2.1]heptan-3-imine

Drug info:

PubChemData

Smile

CN1CCC(=C(C2=CC=CC=C2)N)C1=O

DOS

IR

Vibrations