Geometry & MOs

Info

ID:	176460
PubChem CID:	76051170
Reduced:	ON4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	41.47
Dipole, Da:	0.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.106344
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexylpropyl)-2,5-dioxo-3,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC2=C3C=CC=CC3=[N+](C(=O)N2N1)CC4=CC=C(C=C4)C

DOS

IR

Vibrations