Geometry & MOs

Info

ID:	247654
PubChem CID:	103072579
Reduced:	ClN3C11H18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	180.089878
ΔH_f, kcal/mol:	29.16
Dipole, Da:	2.16
IP(EA), eV:	-9.04(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(aminomethyl)prop-2-enyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C(=C(C=N1)Cl)C

DOS

IR

Vibrations