Geometry & MOs

Info

ID:	377816
PubChem CID:	134223881
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-173.41
Dipole, Da:	11.88
IP(EA), eV:	-8.69(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-9-(oxan-4-yloxy)-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)OC4CCCC4

DOS

IR

Vibrations