Geometry & MOs

Info

ID:	377892
PubChem CID:	134223958
Reduced:	O3C17H30 (1)
Stoich.:	A3B17C30 (1)
Weight, g/mol:	437.140529
ΔH_f, kcal/mol:	-177.22
Dipole, Da:	1.36
IP(EA), eV:	-9.73(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-tert-butyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(COC(=O)[C@]1(CC(CCC1(C)C(=C)C)(C)C)C)O

DOS

IR

Vibrations