Geometry & MOs

Info

ID:	422131
PubChem CID:	135117264
Reduced:	ON5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-5.95
Dipole, Da:	3.54
IP(EA), eV:	-8.11(0.36)
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-methoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations