Geometry & MOs

Info

ID:	420105
PubChem CID:	135111160
Reduced:	O4N5C25H33 (1)
Stoich.:	A4B5C25D33 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-103.68
Dipole, Da:	3.5
IP(EA), eV:	-8.9(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N3CCC4(CCCN(C4)C(=O)CCC5=CN(CCCO2)N=N5)CC3

DOS

IR

Vibrations