Geometry & MOs

Info

ID:	377810
PubChem CID:	134223875
Reduced:	NO5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	499.257003
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	13.78
IP(EA), eV:	-9.15(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-9-[[3-(3-methylbutoxymethyl)oxetan-3-yl]methoxy]-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CO)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C#CC4CC4

DOS

IR

Vibrations