Geometry & MOs

Info

ID:	11863
PubChem CID:	122078
Reduced:	NPO6C11H20 (1)
Stoich.:	ABC6D11E20 (1)
Weight, g/mol:	293.102824
ΔH_f, kcal/mol:	-347.88
Dipole, Da:	7.36
IP(EA), eV:	-9.75(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4aR,6S,8aR)-6-(phosphonooxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1COP(=O)(O)O)C(=O)O

DOS

IR

Vibrations