Geometry & MOs

Info

ID:	149956
PubChem CID:	53789638
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	-115.87
Dipole, Da:	5.74
IP(EA), eV:	-7.97(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-2,3,4a,5,6,8a-hexahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)O)C(=O)NC2=CC=C(C=C2)N3CCNCC3

DOS

IR

Vibrations