Geometry & MOs

Info

ID:	37959
PubChem CID:	8025905
Reduced:	NO4C22H33 (1)
Stoich.:	AB4C22D33 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	3.94
IP(EA), eV:	-8.24(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-4-oxo-1H-quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1([C@@H]2CC=C([C@@H]1C2)COC[C@@H](CNCCOC3=CC=CC=C3OC)O)C

DOS

IR

Vibrations