Geometry & MOs

Info

ID:	377756
PubChem CID:	134223821
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-155.28
Dipole, Da:	11.44
IP(EA), eV:	-8.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2CCC3=CC(=C(C=C3C2=CC1=O)OC)OC4CCC4

DOS

IR

Vibrations