Geometry & MOs

Info

ID:	132676
PubChem CID:	51399290
Reduced:	NO4C29H33 (1)
Stoich.:	AB4C29D33 (1)
Weight, g/mol:	459.240959
ΔH_f, kcal/mol:	-131.23
Dipole, Da:	8.86
IP(EA), eV:	-8.45(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl (4S)-4-(2-butoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1[C@@H]2C3=C(CCCC3=O)NC(=C2C(=O)OCCC4=CC=CC=C4)C

DOS

IR

Vibrations