Geometry & MOs

Info

ID:	184737
PubChem CID:	77200810
Reduced:	N2O6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	372.132136
ΔH_f, kcal/mol:	-183.88
Dipole, Da:	2.83
IP(EA), eV:	-9.23(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,3-benzoxazol-2-yloxy)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]but-2-enedioic acid

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)OC3=NC4=CC=CC=C4O3.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations