Geometry & MOs

Info

ID:	173179
PubChem CID:	75607406
Reduced:	N2O7C13H14 (1)
Stoich.:	A2B7C13D14 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-250.94
Dipole, Da:	2.06
IP(EA), eV:	-10.38(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=CN(C(=O)N=C2O1)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations