Geometry & MOs

Info

ID:	381147
PubChem CID:	134971798
Reduced:	BNO3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	296.116092
ΔH_f, kcal/mol:	-155.84
Dipole, Da:	9.11
IP(EA), eV:	-9.26(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-1-yl)benzamide

Drug info:

PubChemData

Smile

[B-]12([N@+](CC(=O)O1)([C@H]([C@H](O2)C3=CC=CC=C3)C)C)/C=C/C(=C)C

DOS

IR

Vibrations