Geometry & MOs

Info

ID:	377795
PubChem CID:	134223860
Reduced:	NO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-29.83
Dipole, Da:	2.55
IP(EA), eV:	-8.35(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-10-methoxy-2-oxo-9-[(3R)-oxolan-3-yl]oxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(=N)CC1=CC(=C(C=C1)OC)OCC2=CC=CC=C2

DOS

IR

Vibrations