Geometry & MOs

Info

ID:	421307
PubChem CID:	135115759
Reduced:	ON5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	5.12
IP(EA), eV:	-8.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1C=NN=C1C(C)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3

DOS

IR

Vibrations