Geometry & MOs

Info

ID:	74009
PubChem CID:	48421344
Reduced:	SO4N5C16H23 (1)
Stoich.:	AB4C5D16E23 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-147.02
Dipole, Da:	5.21
IP(EA), eV:	-9.03(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-N-(3-methylpyridin-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations