Geometry & MOs

Info

ID:	32670
PubChem CID:	7847065
Reduced:	NO4C23H23 (1)
Stoich.:	AB4C23D23 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-105.9
Dipole, Da:	5.55
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations