Geometry & MOs

Info

ID:	324906
PubChem CID:	126678575
Reduced:	NO4C27H47 (1)
Stoich.:	AB4C27D47 (1)
Weight, g/mol:	348.220164
ΔH_f, kcal/mol:	-253.23
Dipole, Da:	8.6
IP(EA), eV:	-9.94(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(6-but-1-en-2-ylquinolin-4-yl)-3-ethyl-4-oxa-1-azatricyclo[4.4.0.03,8]decane

Drug info:

PubChemData

Smile

CCCCC(=O)NC(CCC(=O)C)(CCC(=O)C)CCC(=O)C1CCCCCCCCC1

DOS

IR

Vibrations