Geometry & MOs

Info

ID:	11618
PubChem CID:	118218
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-78.58
Dipole, Da:	4.22
IP(EA), eV:	-9.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-(3-phenylprop-2-enoyl)-3,8-diazabicyclo[3.2.1]octane-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2CCC(C1=O)N2C(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations