Geometry & MOs

Info

ID:	25880
PubChem CID:	632417
Reduced:	BrNO3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	363.219829
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	6.27
IP(EA), eV:	-9.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-4-azatetracyclo[12.5.0.02,6.07,13]nonadec-13-ene-3,5-dione

Drug info:

PubChemData

Smile

CN1CCC23CC(=O)C(=O)CC2C1CC4=C(C=CC(=C34)O)Br

DOS

IR

Vibrations