Geometry & MOs

Info

ID:	159933
PubChem CID:	57298707
Reduced:	ClON6H29C30 (1)
Stoich.:	ABC6D29E30 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	118.47
Dipole, Da:	1.93
IP(EA), eV:	-8.26(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-[(4-hydroxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(CC1=NNN=N1)OC2=CC=CC=C2CNC3=CC=CC(=C3)C=CC4=NC5=C(C=CC(=C5)Cl)C=C4

DOS

IR

Vibrations