Geometry & MOs

Info

ID:	378420
PubChem CID:	134224501
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	2.65
IP(EA), eV:	-9.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylpentan-3-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)N(C=C1)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations