Geometry & MOs

Info

ID:	37674
PubChem CID:	8023021
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	321.98407
ΔH_f, kcal/mol:	-79.16
Dipole, Da:	2.62
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4R,6R)-3-(4-bromobenzoyl)-7,9-dioxatricyclo[4.2.1.02,4]nonan-5-one

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)OC(C)(C)C)/CC(=O)NC1=CC=CC=C1C#N

DOS

IR

Vibrations