Geometry & MOs

Info

ID:	165398
PubChem CID:	74545570
Reduced:	N5O5C25H29 (1)
Stoich.:	A5B5C25D29 (1)
Weight, g/mol:	471.155611
ΔH_f, kcal/mol:	-116.14
Dipole, Da:	5.27
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[3-(1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)propanoyl]-1-methyl-2-oxoquinolin-4-olate

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)CC3=NOC4=CC=CC=C43)N

DOS

IR

Vibrations