Geometry & MOs

Info

ID:	307548
PubChem CID:	125307440
Reduced:	NO7C14H23 (1)
Stoich.:	AB7C14D23 (1)
Weight, g/mol:	317.147452
ΔH_f, kcal/mol:	-327.25
Dipole, Da:	3.1
IP(EA), eV:	-9.93(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R,2R,6R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methylamino]acetic acid

Drug info:

PubChemData

Smile

CC1(O[C@@H]2CO[C@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNCC(=O)O)C

DOS

IR

Vibrations