Geometry & MOs

Info

ID:	304843
PubChem CID:	124766230
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-201.37
Dipole, Da:	5.94
IP(EA), eV:	-9.2(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-diethylanilino)-2-oxoethyl] (1R,3S,6S,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)O[C@@H]4C3

DOS

IR

Vibrations