Geometry & MOs

Info

ID:	132675
PubChem CID:	51399208
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	459.240959
ΔH_f, kcal/mol:	-161.27
Dipole, Da:	9.66
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H]2C3=C(CCCC3=O)NC(=C2C(=O)OCCOCC)C

DOS

IR

Vibrations