Geometry & MOs

Info

ID:	434862
PubChem CID:	135175858
Reduced:	ON2C8H14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	194.141913
ΔH_f, kcal/mol:	-5.29
Dipole, Da:	4.62
IP(EA), eV:	-9.08(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-ethyl-2,7-diazabicyclo[4.2.0]octan-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)C1CN(C1)C(=O)C=C

DOS

IR

Vibrations