Geometry & MOs

Info

ID:	306937
PubChem CID:	125264388
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	0.95
IP(EA), eV:	-8.95(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-1-methyl-4-phenyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](CCN2CC3=COC=C3)O[C@@H]1COCC4=CC=CC=N4

DOS

IR

Vibrations