Geometry & MOs

Info

ID:	306971
PubChem CID:	125264465
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-48.55
Dipole, Da:	4.13
IP(EA), eV:	-9.02(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-1-(3-methoxypropanoyl)-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]([C@@H](CN2CC3=CC=CC=C3)NC(=O)C4CC4)OC1

DOS

IR

Vibrations