Geometry & MOs

Info

ID:	302511
PubChem CID:	124362022
Reduced:	ClNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	329.183838
ΔH_f, kcal/mol:	-86.89
Dipole, Da:	3.34
IP(EA), eV:	-8.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6R,8R,9S)-N-butyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC[C@@H]([C@@H]2C1)COC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations