Geometry & MOs

Info

ID:	305391
PubChem CID:	124807082
Reduced:	ClON3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	2.56
Dipole, Da:	3.49
IP(EA), eV:	-8.41(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-4-(oxan-4-ylmethyl)-1-(pyridin-3-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCNCC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations