Geometry & MOs

Info

ID:	127792
PubChem CID:	51015390
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	332.183503
ΔH_f, kcal/mol:	24.38
Dipole, Da:	6.7
IP(EA), eV:	-6.1(-2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5S,6R,8S)-2-[(1S)-1-hydroxyethyl]-6,8-bis(methoxymethoxy)-6-methylbicyclo[3.2.1]octane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)N3[C@@H]4C=C[C@H](N3C2=O)[C@H]([C@@H]4O)O

DOS

IR

Vibrations