Geometry & MOs

Info

ID:	343384
PubChem CID:	127266557
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-13.77
Dipole, Da:	6.52
IP(EA), eV:	-8.15(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2C3=CCN(CC3)C(=O)C=C

DOS

IR

Vibrations