Geometry & MOs

Info

ID:	69065
PubChem CID:	46517368
Reduced:	SN4O4C25H30 (1)
Stoich.:	AB4C4D25E30 (1)
Weight, g/mol:	388.04226
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	7.11
IP(EA), eV:	-8.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCC3C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations