Geometry & MOs

Info

ID:	82904
PubChem CID:	49856772
Reduced:	NO6C24H31 (1)
Stoich.:	AB6C24D31 (1)
Weight, g/mol:	406.225643
ΔH_f, kcal/mol:	-232.0
Dipole, Da:	6.66
IP(EA), eV:	-8.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3aS,7S,7aS)-4-benzyl-2-oxo-7-phenyl-3,3a,5,6,7,7a-hexahydropyrrolo[3,2-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H](C=CC1=O)[C@@H](CC=O)C2=CC(=C(C=C2)OC)OC3CCCC3

DOS

IR

Vibrations