Geometry & MOs

Info

ID:	377753
PubChem CID:	134223818
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-174.92
Dipole, Da:	11.47
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2[C@@H](CC3=CC(=C(C=C3C2=CC1=O)OC)OC)C(C)C

DOS

IR

Vibrations