Geometry & MOs

Info

ID:	84114
PubChem CID:	49864280
Reduced:	N3O5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	460.272593
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	6.99
IP(EA), eV:	-9.21(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(furan-2-yl)-4-oxo-1-pentyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CC3=CC=CC=N3)CO)O

DOS

IR

Vibrations