Geometry & MOs

Info

ID:	149039
PubChem CID:	53788710
Reduced:	OC6H10 (3)
Stoich.:	AB6C10 (3)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-150.94
Dipole, Da:	5.62
IP(EA), eV:	-9.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,4aR)-6-benzoyloxy-1-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C(CCCCCCC=O)CCCCCC=CC=CC(=O)O

DOS

IR

Vibrations