Geometry & MOs

Info

ID:	420072
PubChem CID:	135110997
Reduced:	OF3N5C19H24 (1)
Stoich.:	AB3C5D19E24 (1)
Weight, g/mol:	320.119464
ΔH_f, kcal/mol:	-151.41
Dipole, Da:	3.22
IP(EA), eV:	-9.06(-0.38)
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]-5-acetyl-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(F)(F)F)CC(C)CNC2=C(C=CC=N2)C(=O)N3CCCC3

DOS

IR

Vibrations