Geometry & MOs

Info

ID:	418289
PubChem CID:	135104076
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	37.88
Dipole, Da:	5.03
IP(EA), eV:	-8.83(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations