Geometry & MOs

Info

ID:	306834
PubChem CID:	125258704
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-13.66
Dipole, Da:	3.69
IP(EA), eV:	-9.1(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3aS,7aS)-4-(2-methoxyethyl)-5-oxo-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridine-1-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]2[C@@H]1N(CC2)CCC3=CC=CC=C3)CC4CC4

DOS

IR

Vibrations