Geometry & MOs

Info

ID:	333925
PubChem CID:	127252477
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	322.135114
ΔH_f, kcal/mol:	20.01
Dipole, Da:	4.35
IP(EA), eV:	-8.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-4-benzyl-3a-methyl-1-methylsulfonyl-3,6,7,7a-tetrahydro-2H-pyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CN1C[C@H]([C@H]2[C@@H]1CCCCN2C(=O)C3=CC=NN3C)C4=CC=CC=C4

DOS

IR

Vibrations