Geometry & MOs

Info

ID:	377780
PubChem CID:	134223845
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	397.188923
ΔH_f, kcal/mol:	-212.92
Dipole, Da:	16.11
IP(EA), eV:	-8.92(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OC4CC(C4)OC

DOS

IR

Vibrations