Geometry & MOs

Info

ID:	305142
PubChem CID:	124766574
Reduced:	NO2C30H37 (1)
Stoich.:	AB2C30D37 (1)
Weight, g/mol:	393.178752
ΔH_f, kcal/mol:	-33.81
Dipole, Da:	2.36
IP(EA), eV:	-8.69(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC[C@@H]1[C@@H](N([C@H](C[C@@]1(C2=CC=CC=C2OC)O)C3=CC=CC=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations