Geometry & MOs

Info

ID:	344225
PubChem CID:	127267401
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-157.03
Dipole, Da:	5.4
IP(EA), eV:	-8.91(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-8-[2-oxo-2-(propylamino)ethoxy]quinoline-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]([C@H](C2=CC=CC=C21)N(C)C(=O)C=C)O

DOS

IR

Vibrations