Geometry & MOs

Info

ID:	397318
PubChem CID:	135030033
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-76.36
Dipole, Da:	2.93
IP(EA), eV:	-9.58(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10bR)-5'-methoxy-2'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,3'-pyrrolo[3,2-b]pyridine]-3-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)N2CCC3=CC=CC=C3[C@@H]2O1

DOS

IR

Vibrations