Geometry & MOs

Info

ID:	377767
PubChem CID:	134223832
Reduced:	NO7C26H33 (1)
Stoich.:	AB7C26D33 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-242.18
Dipole, Da:	16.21
IP(EA), eV:	-8.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-10-methoxy-9-(oxan-4-yloxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(COC)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCC4(CC4)COC

DOS

IR

Vibrations