Geometry & MOs

Info

ID:	138164
PubChem CID:	52321966
Reduced:	O2N6C19H27 (1)
Stoich.:	A2B6C19D27 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-10.6
Dipole, Da:	14.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757602
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-methyl-2,5-dioxo-N-(2-phenylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)C1(CCCCC1)CNC(=O)C(=O)NC2=CC(=CC=C2)N3C=NN=C3

DOS

IR

Vibrations