Geometry & MOs

Info

ID:	422829
PubChem CID:	135118483
Reduced:	ClN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	2.84
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]-N-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC4=C(N3C)C(=CC=C4)Cl

DOS

IR

Vibrations