Geometry & MOs

Info

ID:	177336
PubChem CID:	76169172
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-87.8
Dipole, Da:	3.12
IP(EA), eV:	-9.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydro-4aH-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC(=O)C2=C(C3C=CC=CC3=NC2=O)O

DOS

IR

Vibrations