Geometry & MOs

Info

ID:	390446
PubChem CID:	134999175
Reduced:	NSnC11H23 (1)
Stoich.:	ABC11D23 (1)
Weight, g/mol:	418.210387
ΔH_f, kcal/mol:	-13.72
Dipole, Da:	1.88
IP(EA), eV:	-8.44(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 5-O-methyl (1R,3aS,7aS)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,5-dicarboxylate

Drug info:

PubChemData

Smile

C[Sn](C)(C)C[C@H]1CCN2[C@@H]1CCC2

DOS

IR

Vibrations