Geometry & MOs

Info

ID:	128647
PubChem CID:	51053172
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-21.02
Dipole, Da:	5.25
IP(EA), eV:	-8.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(=C)COC1=C(C=C(C=C1)C2C3=CNN(C3=NC(=O)CS2)C)OC

DOS

IR

Vibrations